SCHEMBL514286

SCHEMBL514286

O=[C]C1(O)CCCCC1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7297658 1.00 ALDH1A1 (0.52)
SCHEMBL4041370 0.97
SCHEMBL874397 0.90
SCHEMBL873664 0.83
SCHEMBL949427 0.73 ALDH1A1 (0.58)
SCHEMBL947101 0.69 ALDH1A1 (0.53)
SCHEMBL4414709 0.69 ALDH1A1 (0.52)
SCHEMBL9841137 0.69 ALDH1A1 (0.52)
SCHEMBL237148 0.69 ALDH1A1 (0.52)
SCHEMBL12948617 0.69 ALDH1A1 (0.52)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION SHAPIRO STANLEY S (US) 2012-02-02 US claimed
JP-4401441-B2 2010-01-20 JP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed
US-6323219-B1 PRODRUGS AND PEPTIDES FOR ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US claimed
JP-2001502360-A 2001-02-20 JP claimed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON &amp; JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP claimed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO claimed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO claimed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US claimed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP claimed
US-9263767-B2 Electrolyte solution for electrochemical devices WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-16 US disclosed
US-20140162143-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-06-12 US disclosed
EP-2738862-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICES Wako Pure Chemical Industries, Ltd. (JP) 2014-06-04 EP disclosed
CN-102449009-B Curable silicone resin composition YOKOHAMA RUBBER CO LTD 2013-07-24 CN disclosed
CN-102449009-A Curable silicone resin composition YOKOHAMA RUBBER CO LTD 2012-05-09 CN disclosed
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION SHAPIRO STANLEY S (US) 2012-02-02 US disclosed
US-8039026-B1 Methods for treating skin pigmentation JOHNSON & JOHNSON CONSUMER COMPANIES, INC (US) 2011-10-18 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1037653-B1 COMPOSITIONS AND METHODS FOR REGULATING PHAGOCYTOSIS AND ICAM-1 EXPRESSION JOHNSON & JOHNSON CONSUMER (US) 2006-09-06 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
US-6750229-B2 ADMINISTERING TO A MAMMAL A PIGMENTATION-CHANGING EFFECTIVE AMOUNT OF A BOWMAN-BIRK INHIBITOR OR OF NATURAL EXTRACT CONTAINING A BOWMAN-BIRK INHIBITOR JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2004-06-15 US disclosed
EP-0948308-B1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 2004-02-25 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP disclosed
US-20020197244-A1 Compositions and methods for regulating phagocytosis and ICAM-1 expression SEIBERG MIRI (US) 2002-12-26 US disclosed
US-20020065300-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER INC. 2002-05-30 US disclosed
US-6323219-B1 PRODRUGS AND PEPTIDES FOR ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US disclosed
EP-1077063-A2 Methods for treating skin pigmentation JOHNSON &amp; JOHNSON CONSUMER COMPANIES, INC. (US) 2001-02-21 EP disclosed
EP-1037653-A1 COMPOSITIONS AND METHODS FOR REGULATING PHAGOCYTOSIS AND ICAM-1 EXPRESSION JOHNSON &amp; JOHNSON CONSUMER COMPANIES, INC. (US) 2000-09-27 EP disclosed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON &amp; JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP disclosed
WO-1999030729-A1 COMPOSITIONS AND METHODS FOR REGULATING PHAGOCYTOSIS AND ICAM-1 EXPRESSION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-06-24 WO disclosed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO disclosed
US-5827860-A Peptidyl heterocycles useful in the treatment of thrombin related disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
US-5827866-A ANTICOAGULANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP disclosed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 US disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP disclosed