SCHEMBL6674994

SCHEMBL6674994

CC(CCCC=O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 1/20 0.41
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.35
GLRA3 O75311 2/20 0.34
GPR84 Q9NQS5 4/20 0.34

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
SCHEMBL15541796 0.94 BHMT (0.40) BHMTHIF1ATSHRBLMGPR84
SCHEMBL8876254 0.87 BHMT (0.43) BHMTGLRA3
SCHEMBL18704273 0.87 BHMT (0.43) BHMTGLRA3
SCHEMBL18704289 0.87 BHMT (0.43) BHMTGLRA3
SCHEMBL1262418 0.83 ALDH1A1 (0.41) HIF1ATSHRBLM
SCHEMBL425046 0.82 BHMT (0.48) BHMTBLMGPR84
SCHEMBL14360558 0.82 BHMT (0.48) BHMTBLMGPR84
SCHEMBL28735787 0.82 MAPT (0.40) BLM
SCHEMBL10782744 0.82 MAPT (0.45) BHMTTSHRBLMGLRA3
SCHEMBL29991721 0.80 GPR84 (0.50) BHMTBLMGPR84

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921186-B1 Use of ethyl 3-methyl-2-oxopentanoate as a perfuming ingredient FIRMENICH & CIE (CH) 2004-11-03 EP claimed
US-5952292-A ENANTIOMORPHS; UNUSUAL FRUITY ODOR DESCRIBED AS A FRESH WALNUT ODOR TOGETHER WITH A RUM TYPE NOTE; COLOGNES; AFTER-SHAVE LOTIONS; COSMETICS; DETERGENTS; BATH SOAPS AND GELS; SHAMPOO FIRMENICH S.A. (CH) 1999-09-14 US claimed
US-6159929-A Optically active esters and their use as perfuming ingredients FIRMENICH SA (CH) 2000-12-12 US disclosed
US-5952292-A ENANTIOMORPHS; UNUSUAL FRUITY ODOR DESCRIBED AS A FRESH WALNUT ODOR TOGETHER WITH A RUM TYPE NOTE; COLOGNES; AFTER-SHAVE LOTIONS; COSMETICS; DETERGENTS; BATH SOAPS AND GELS; SHAMPOO FIRMENICH S.A. (CH) 1999-09-14 US disclosed
US-5952292-A ENANTIOMORPHS; UNUSUAL FRUITY ODOR DESCRIBED AS A FRESH WALNUT ODOR TOGETHER WITH A RUM TYPE NOTE; COLOGNES; AFTER-SHAVE LOTIONS; COSMETICS; DETERGENTS; BATH SOAPS AND GELS; SHAMPOO FIRMENICH S.A. (CH) 1999-09-14 US disclosed
US-5952292-A ENANTIOMORPHS; UNUSUAL FRUITY ODOR DESCRIBED AS A FRESH WALNUT ODOR TOGETHER WITH A RUM TYPE NOTE; COLOGNES; AFTER-SHAVE LOTIONS; COSMETICS; DETERGENTS; BATH SOAPS AND GELS; SHAMPOO FIRMENICH S.A. (CH) 1999-09-14 US disclosed