SCHEMBL874694

SCHEMBL874694

C#CCCCCCC.COC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTPN7 P35236 4/20 0.46
HMGCR P04035 2/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
EPHX1 P07099 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
RECQL P46063 1/20 0.42
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
GPR84 Q9NQS5 4/20 0.40

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
SCHEMBL28102327 1.00 HSD17B10 (0.50) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL873828 0.98 MAPT (0.47) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
Bicarbonate SCHEMBL31218603 0.87 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
Bicarbonate SCHEMBL9183551 0.87 HSD17B10 (0.58) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
Malonic Acid SCHEMBL30913847 0.86 HSD17B10 (0.57) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
Oxalic Acid SCHEMBL30913846 0.85 HSD17B10 (0.56) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
Bicarbonate SCHEMBL29452854 0.85 MAPT (0.54) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL874063 0.85 MAPT (0.47) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
Acetic Acid SCHEMBL28094401 0.83 ALDH1A1 (0.53) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
Octane SCHEMBL4939049 0.82 EPHX1 (0.56) HSD17B10ALDH1A1EPHX1TDP1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119156438-A Perfume composition for sleep improvement 国际香料和香精公司 2024-12-17 CN claimed
US-20240306688-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2024-09-19 US claimed
EP-4391827-A1 METHOD OF MITIGATING OFF-ODORS Givaudan SA (CH) 2024-07-03 EP claimed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP claimed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
WO-2023025549-A1 METHOD OF MITIGATING OFF-ODORS GIVAUDAN SA (CH) 2023-03-02 WO claimed
EP-3416729-A1 PRO-FRAGRANCE COMPOSITION Aqdot Limited (GB) 2018-12-26 EP claimed
WO-2017141030-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2017-08-24 WO claimed
CN-116457328-B Aldehyde composition 三菱瓦斯化学株式会社 2025-05-09 CN disclosed
EP-3325588-B1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2025-04-16 EP disclosed
EP-4245748-B1 ALDEHYDE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2025-03-05 EP disclosed
CN-119156438-A Perfume composition for sleep improvement 国际香料和香精公司 2024-12-17 CN disclosed
CN-115103719-B Encapsulated fragrance based on natural amino acids 西姆莱斯股份公司 2024-12-06 CN disclosed
CN-118974009-A Perfume and fragrance material 高砂香料工业株式会社 2024-11-15 CN disclosed
WO-2004009142-A1 FRAGRANCE DISPENSING DEVICE GIVAUDAN SA (CH) 2004-01-29 WO disclosed
WO-2003072151-A1 AIR-FRESHENING DEVICE GIVAUDAN SA (CH) 2003-09-04 WO disclosed
EP-1340513-A1 Air-freshening device Givaudan SA (CH) 2003-09-03 EP disclosed
EP-0902024-B1 7-propyl-benzodioxepin-3-one and its use in perfumery FIRMENICH & CIE (CH) 2003-03-19 EP disclosed
EP-0902024-A1 7-propyl-benzodioxepin-3-one and its use in perfumery FIRMENICH SA (CH) 1999-03-17 EP disclosed
US-5180710-A ETHYL (2E,4Z,7Z)-2,4,7-DECATRIENOATE AND ITS USE AS A PERFUMING OR FLAVORING INGREDIENT FIRMENICH S.A. (CH) 1993-01-19 US disclosed