SCHEMBL2812644

SCHEMBL2812644

C=C(C)C(=O)OP(=O)(CC)OC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.41
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3095451 0.88 TSHR (0.52) ALDH1A1THRBTSHRTDP1
SCHEMBL5479785 0.80 ALDH1A1 (0.41) ALDH1A1THRBTSHR
SCHEMBL361873 0.79 CHRM5 (0.38) THRBTSHR
SCHEMBL28399483 0.78 ALDH1A1 (0.48) ALDH1A1THRBTSHRTDP1
SCHEMBL778878 0.78 TSHR (0.42) TSHRTDP1
SCHEMBL27865921 0.78 L3MBTL1 (0.45) ALDH1A1TDP1
SCHEMBL29078662 0.75 TSHR (0.43) ALDH1A1TSHRTDP1
SCHEMBL418514 0.75 ALDH1A1 (0.50) ALDH1A1THRBTSHRTDP1
SCHEMBL3630684 0.74 TSHR (0.48) ALDH1A1THRBTSHRTDP1
SCHEMBL4167475 0.74 TSHR (0.48) ALDH1A1THRBTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289359-B2 Self-adhesive multicomponent dental material IVOCLAR VIVADENT AG (LI) 2016-03-22 US disclosed
US-20100240795-A1 SELF-ADHESIVE MULTICOMPONENT DENTAL MATERIAL IVOCLAR VIVADENT AG (LI) 2010-09-23 US disclosed