SCHEMBL28903604

SCHEMBL28903604

C=C(C)CC(C)(C)CCC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3062878 0.85 FFAR1 (0.38) TDP1FFAR1CPT2
SCHEMBL789350 0.78
SCHEMBL5357525 0.78 FDPS (0.35) TDP1FFAR1CPT2
SCHEMBL18523103 0.77 CYP2D6 (0.30) TDP1FFAR1CPT2
SCHEMBL11652886 0.77 FDPS (0.31)
SCHEMBL11790759 0.75
SCHEMBL28012063 0.75
SCHEMBL1784497 0.74 TDP1 (0.41) TDP1FFAR1CPT2HSD17B10
SCHEMBL25146965 0.73
SCHEMBL10532985 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137853-B Plasticizer composition comprising polymeric dicarboxylate and dialkyl terephthalate 巴斯夫欧洲公司 2020-11-20 CN disclosed
CN-108137851-B Plasticizer compositions comprising polymeric dicarboxylate and dicarboxylic diester 巴斯夫欧洲公司 2020-10-09 CN disclosed
CN-108137852-B Plasticizer composition comprising polymeric dicarboxylate and 1, 2-cyclohexanedicarboxylate 巴斯夫欧洲公司 2020-10-09 CN disclosed