SCHEMBL113867

SCHEMBL113867

COC(C)(C)CCCC(C)CC=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20819487 1.00 CYP3A4 (0.52) CYP3A4ALDH1A1LMNATDP1MEN1
Malonic Acid SCHEMBL10751042 0.91 ALDH1A1 (0.49) CYP3A4ALDH1A1LMNATDP1
SCHEMBL14760357 0.89 ALDH1A1 (0.41) CYP3A4ALDH1A1LMNATDP1
SCHEMBL11818004 0.87 CYP3A4 (0.40) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL1706524 0.84 LMNA (0.42) CYP3A4ALDH1A1LMNATDP1
SCHEMBL12760667 0.84 CYP3A4 (0.45) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL9011557 0.82 CYP3A4 (0.38) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL11876408 0.82 CYP3A4 (0.38) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL11766470 0.80 CYP3A4 (0.36) CYP3A4ALDH1A1LMNATDP1MEN1
SCHEMBL29446627 0.80 CYP3A4 (0.55) CYP3A4ALDH1A1LMNATDP1MEN1

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

Appears in 2306 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
EP-4602141-A1 A FRAGRANCE MIXTURE (VI) Symrise AG (DE) 2025-08-20 EP claimed
CN-119968452-A Perfume mixture (VI) 西姆莱斯股份公司 2025-05-09 CN claimed
EP-4532646-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-04-09 EP claimed
CN-119790128-A Perfume mixture (III) 西姆莱斯股份公司 2025-04-08 CN claimed
WO-2025068206-A1 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2025-04-03 WO claimed
US-20250099349-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2025-03-27 US claimed
EP-4519403-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-03-12 EP claimed
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
CN-119317696-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN claimed
US-20120003326-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2012-01-05 US claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
US-20110237685-A1 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO. KGAA (DE) 2011-09-29 US claimed
EP-2364186-A2 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES Henkel AG & Co. KGaA (DE) 2011-09-14 EP claimed
WO-2010105949-A1 DETERGENT, CLEANING AGENT, AFTERTREATMENT AGENT, OR WASHING AID CONTAINING ALDEHYDES AND HAVING AN ANTIBACTERIAL EFFECT HENKEL AG & CO. KGAA (DE) 2010-09-23 WO claimed
WO-2010066486-A2 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO. KGAA (DE) 2010-06-17 WO claimed
EP-1848702-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS Flexitral, Inc. (US) 2007-10-31 EP claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
US-4728540-A ABSORPTION FROM SOLUTION CONTAINING PLASTICIZER ARMOR ALL PRODUCTS CORPORATION 1988-03-01 US claimed