SCHEMBL3275579

SCHEMBL3275579

C=C(C)C(=O)OC(O)CCCCO

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.32
ALOX5 P09917 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
SCHEMBL8850453 0.98 TSHR (0.37) TSHRALDH1A1THRBALOX5
SCHEMBL1492477 0.98 TSHR (0.37) TSHRALDH1A1THRBALOX5
SCHEMBL27475177 0.98 TSHR (0.37) TSHRALDH1A1THRBALOX5
SCHEMBL7164953 0.98 TSHR (0.37) TSHRALDH1A1THRBALOX5
SCHEMBL28246321 0.98 TSHR (0.37) TSHRALDH1A1THRBALOX5
SCHEMBL658459 0.94 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL890447 0.86 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL26407 0.85 TSHR (0.50) TSHR
SCHEMBL16592838 0.84 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL64839 0.84 TSHR (0.53) TSHR

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-8329845-B2 Divided redox-curing type composition KURARAY NORITAKE DENTAL INC. (JP) 2012-12-11 US disclosed
US-20100087613-A1 DIVIDED REDOX-CURING TYPE COMPOSITION KURARAY MEDICAL INC. (JP) 2010-04-08 US disclosed