SCHEMBL595443

SCHEMBL595443

ON1CC[N]CC1

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
SCHEMBL7466856 0.87
SCHEMBL3076834 0.69
SCHEMBL29029892 0.69 ALDH1A1 (0.37)
SCHEMBL38753 0.63
SCHEMBL596764 0.62
SCHEMBL4070 0.62
SCHEMBL2608 0.61
SCHEMBL16145787 0.61
SCHEMBL57382 0.61
SCHEMBL8920985 0.60

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 144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503548-B Butylphthalide derivative and preparation method and application thereof 江南大学 2020-08-04 CN claimed
CN-109503548-A A kind of butylbenzene phthalide derivative and its preparation method and application 江南大学 2019-03-22 CN claimed
EP-1469810-A4 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF AMYLOID-BETA PEPTIDE-RELATED DISORDERS UNIV ROCKEFELLER (US) 2009-01-14 EP claimed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
US-20050107310-A1 Carboxylic acid glycuronides, glycosamides and glycosides of quinolones, penicillins, analogs, and uses thereof HOLICK MICHAEL F (US) 2005-05-19 US claimed
EP-1469810-A2 COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF AMYLOID-BETA PEPTIDE-RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2004-10-27 EP claimed
EP-1435352-A2 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines Wyeth Holdings Corporation (US) 2004-07-07 EP claimed
US-20040028673-A1 Compositions and methods for prevention and treatment of amyloid-beta peptide-related disorders ROCKEFELLER UNIVERSITY, THE 2004-02-12 US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
EP-0582788-A1 7-(Substituted)-9- (substituted glycyl)-amido)-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP claimed
EP-0582789-A1 Novel 7-(substituted)-8-(substituted)-9- (substituted glycyl)amido -6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-02-16 EP claimed
EP-0286089-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES, A COMPOSITION COMPRISING THE SAME, PROCESS FOR PREPARING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS KANEBO, LTD. (JP) 1991-11-13 EP claimed
US-4971967-A Quinolinecarboxylic acid derivatives, antibacterial compositions and use KANEBO LTD (JP) 1990-11-20 US claimed
EP-0387877-A1 Quinolinecarboxylic acid derivatives and antibacterial agent containing the same KANEBO LTD. (JP) 1990-09-19 EP claimed
US-4808584-A Quinolinecarboxylic acid derivatives and antibacterial agent containing the same KANEBO, LTD. (JP) 1989-02-28 US claimed
EP-0286089-A1 Quinolinecarboxylic acid derivatives, a composition comprising the same, process for preparing the same, and the use of the same for the manufacture of medicaments KANEBO, LTD. (JP) 1988-10-12 EP claimed
EP-0047005-B1 BENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1984-11-14 EP claimed
US-4382892-A Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1983-05-10 US claimed
EP-0047005-A1 Benzoxazine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1982-03-10 EP claimed