SCHEMBL3189138

SCHEMBL3189138

CCC(C)(O)CCCCC(C)(O)CC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 1/20 0.35
FDPS P14324 9/20 0.33
GGPS1 O95749 6/20 0.33
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL2822857 0.93 ALDH1A1 (0.39) ALDH1A1TDP1TSHRHMGCRCHRM1
SCHEMBL11345601 0.91 ALDH1A1 (0.47) ALDH1A1TDP1TSHRFDPSGGPS1
SCHEMBL295624 0.91 FDPS (0.44) TSHRFDPSGGPS1
SCHEMBL5915771 0.89 ALDH1A1 (0.45) ALDH1A1TDP1FDPSGGPS1FFAR1
SCHEMBL2107843 0.89 FDPS (0.46) TSHRFDPSGGPS1
SCHEMBL6327462 0.89 FDPS (0.46) TSHRFDPSGGPS1
SCHEMBL308714 0.89 FDPS (0.46) TSHRFDPSGGPS1
SCHEMBL2638799 0.89 SMN1; SMN2 (0.41) ALDH1A1TSHR
SCHEMBL2108510 0.89 FDPS (0.46) TSHRFDPSGGPS1
SCHEMBL1698305 0.89 ALDH1A1 (0.45) ALDH1A1TDP1FDPSGGPS1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-4111917-A POLYURETHANES W. R. GRACE & CO. (US) 1978-09-05 US disclosed