SCHEMBL2965140

SCHEMBL2965140

CC(=O)/C(C)=C/C=C(\C)CCC=C(C)C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
SQLE Q14534 2/20 0.53
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 3/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
FNTA P49354 3/20 0.47
FNTB P49356 3/20 0.47
MAPT P10636 2/20 0.47
UGT1A1 P22309 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL8705357 1.00 ALDH1A1 (0.61) ALDH1A1KDM4EATMSQLEKMT2A
SCHEMBL2965141 1.00 ALDH1A1 (0.61) ALDH1A1KDM4EATMSQLEKMT2A
SCHEMBL28846647 0.84 NR1I2 (0.51) ALDH1A1KDM4EATMSQLEKMT2A
SCHEMBL30233722 0.84 NR1I2 (0.51) ALDH1A1KDM4EATMSQLEKMT2A
SCHEMBL16387740 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EATMSQLEKMT2A
SCHEMBL10623596 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EATMSQLEKMT2A
SCHEMBL10623599 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EATMSQLEKMT2A
Citral SCHEMBL9246850 0.79 ALDH1A1 (0.88) ALDH1A1KDM4EATMSQLEKMT2A
Citral SCHEMBL9246845 0.79 ALDH1A1 (0.88) ALDH1A1KDM4EATMSQLEKMT2A
SCHEMBL12295115 0.78 KMT2A (0.56) ALDH1A1KDM4EATMSQLEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425617-B Preparation method of pseudo-isomethyl ionone 万华化学集团股份有限公司 2024-11-12 CN claimed
CN-117069571-A Preparation method of isomethyl ionone 万华化学集团股份有限公司 2023-11-17 CN claimed
CN-117069572-A Method for improving separation yield of pseudo-isomethyl ionone 万华化学集团股份有限公司 2023-11-17 CN claimed
CN-116425617-A Preparation method of pseudo-isomethyl ionone 万华化学集团股份有限公司 2023-07-14 CN claimed
CN-116217367-A Preparation method of pseudo-isomethyl ionone 万华化学集团股份有限公司 2023-06-06 CN claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
CN-117069571-B Preparation method of isomethyl ionone 万华化学集团营养科技有限公司 2026-04-07 CN disclosed
CN-117069572-B Method for improving separation yield of pseudo-isomethyl ionone 万华化学集团股份有限公司 2026-02-06 CN disclosed
CN-117069572-B Method for improving separation yield of pseudo-isomethyl ionone 万华化学集团股份有限公司 2026-02-06 CN disclosed
CN-116217367-B Preparation method of pseudo-isomethyl ionone 万华化学集团股份有限公司 2025-08-29 CN disclosed
US-5919440-A HIGHLY VOLATILE PERFUME, IONE PERFUME, MUST, POLYMER PROCTER & GAMBLE COMPANY (US) 1999-07-06 US disclosed
US-5874073-A IONONE PERFUME, MUSK, VOLATILE PERFUME PROCTER & GAMBLE (US) 1999-02-23 US disclosed
WO-1998050010-A1 PERSONAL CARE COMPOSITIONS CONTAINING AN ODOR MASKING BASE THE PROCTER & GAMBLE COMPANY (US) 1998-11-12 WO disclosed
EP-0172519-B1 PROCESS FOR THE PREPARATION OF IONONES BASF Aktiengesellschaft (DE) 1988-11-23 EP disclosed
EP-0172519-A1 Process for the preparation of ionones BASF Aktiengesellschaft (DE) 1986-02-26 EP disclosed