SCHEMBL3967757

SCHEMBL3967757

CCCCOOC(C)(C)CC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CES2 O00748 3/20 0.37
ATM Q13315 1/20 0.35
TSHR P16473 5/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
CYP3A4 P08684 1/20 0.30
CES1 P23141 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
SCHEMBL9129137 0.76 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL592345 0.74 ADRB2 (0.36) ALDH1A1TSHRCA1CA2CYP3A4
SCHEMBL786803 0.74 TSHR (0.38) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL1425367 0.73 ALDH1A1 (0.38) ALDH1A1ATMTSHRHCAR2TDP1
SCHEMBL5362124 0.73 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL474943 0.72 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDCA2
Acetone SCHEMBL8477263 0.71 ALDH1A1 (0.59) ALDH1A1CES2ATMTSHRHPGD
SCHEMBL10622736 0.71 ALDH1A1 (0.33) ALDH1A1CES2TDP1
SCHEMBL9149367 0.71 ADRB2 (0.33) TSHRCYP3A4
SCHEMBL5943669 0.71 ADRB2 (0.33) TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981916-B1 POLYBUTADIENE COMPOSITIONS, METHODS AND ARTICLES SARTOMER TECHNOLOGY CO INC (US) 2009-07-29 EP disclosed
EP-1981916-A1 POLYBUTADIENE COMPOSITIONS, METHODS AND ARTICLES Sartomer Technology Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007090634-A1 POLYBUTADIENE COMPOSITIONS, METHODS AND ARTICLES SARTOMER TECHNOLOGY CO., INC. (US) 2007-08-16 WO disclosed
US-20070185268-A1 POLYBUTADIENE COMPOSITIONS, METHODS, AND ARTICLES SARTOMER TECHNOLOGY COMPANY, INC. (US) 2007-08-09 US disclosed
EP-0835282-B1 IMPROVED PHENOLIC SCORCH RETARDERS SARTOMER CO INC (US) 2003-04-09 EP disclosed
EP-0835282-A1 IMPROVED PHENOLIC SCORCH RETARDERS SARTOMER COMPANY, INC. (US) 1998-04-15 EP disclosed
US-5696190-A CURABLE ELASTOMERS MIXED WITH AN ACID SALT OF (DI)ALKYLAMINOALKYL PHENOL SARTOMER COMPANY (US) 1997-12-09 US disclosed
WO-1997001597-A1 IMPROVED PHENOLIC SCORCH RETARDERS SARTOMER COMPANY, INC. (US) 1997-01-16 WO disclosed