SCHEMBL10065747

SCHEMBL10065747

C=C(C)C(=O)OCC1CCC(OC(=O)C(C=C(C)C)=C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL31337644 0.84 ALDH1A1 (0.50) ALDH1A1THRBTSHR
SCHEMBL31337642 0.84 ALDH1A1 (0.50) ALDH1A1THRBTSHR
SCHEMBL10065868 0.84 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9979752 0.80 ALDH1A1 (0.46) ALDH1A1THRBTSHR
SCHEMBL18309892 0.80 ALDH1A1 (0.49) ALDH1A1THRBTSHR
SCHEMBL12269715 0.78 ALDH1A1 (0.60) ALDH1A1THRBTSHR
SCHEMBL496421 0.78 ALDH1A1 (0.60) ALDH1A1THRBTSHR
SCHEMBL91314 0.77 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL18314255 0.77 ALDH1A1 (0.43) ALDH1A1THRBTSHR
SCHEMBL18309891 0.76 ALDH1A1 (0.45) ALDH1A1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009385-A1 RESIN COMPLEX AND LAMINATE FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed