SCHEMBL1410409

SCHEMBL1410409

CCCC(C)C(C)C=O

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
SCHEMBL11939964 1.00
SCHEMBL4756088 1.00
SCHEMBL30538335 0.84 METAP1 (0.35)
SCHEMBL1410188 0.84 TSHR (0.50)
SCHEMBL1409548 0.82 ADH1B (0.47)
SCHEMBL1785883 0.80 METAP1 (0.38)
SCHEMBL1783653 0.80 ADH1B (0.50)
SCHEMBL6049878 0.80 ADH1B (0.50)
SCHEMBL10481890 0.80 ADH1B (0.50)
SCHEMBL1783644 0.77 METAP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106010788-B Novel aldehyde compounds and their use in perfuming compositions 国际香料和香精公司 2021-04-23 CN disclosed
US-10150722-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-12-11 US disclosed
EP-3072876-B1 ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INT FLAVORS & FRAGRANCES INC (US) 2018-10-10 EP disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-20180057436-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-03-01 US disclosed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US disclosed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US disclosed
US-9850191-B2 Aldehyde compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-12-26 US disclosed
CN-106010788-A Novel aldehyde compounds and their use in perfume compositions 国际香料和香精公司 2016-10-12 CN disclosed
US-20160281027-A1 NOVEL ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2016-09-29 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed
US-6040465-A Process for producing optically active β-lactones TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-03-21 US disclosed
US-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed
EP-0705812-B1 Method for producing cyclopentadienes NIPPON PETROCHEMICALS CO LTD (JP) 1998-12-16 EP disclosed
US-5723708-A REACTING ALDEHYDES AND KETONES ON THE PRESENCE OF ACID CATALYSTS OR BASIC CATALYSTS FOR ALDOL REACTION AND CYCLODEHYDRATION NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0705812-A1 Method for producing cyclopentadienes NIPPON PETROCHEMICALS CO., LTD. (JP) 1996-04-10 EP disclosed
US-4764367-A Use of C8 -t-alkanols and C5 -C11 -omega-alken-1-ols in attracting insects INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-08-16 US disclosed
US-4748283-A POLYMERIZATION CATALYSTS LITHIUM CORPORATION OF AMERICA (US) 1988-05-31 US disclosed