SCHEMBL28124452

SCHEMBL28124452

C=CC(=O)OC(CCC)n1cccc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.36
THRB P10828 3/20 0.34
THRA P10827 1/20 0.32

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
SCHEMBL27787794 0.87 TSHR (0.39) TSHRHPGDTHRBTHRA
SCHEMBL16694104 0.79 TSHR (0.37) TSHRHPGDTHRBTHRA
SCHEMBL28033818 0.75 THRB (0.36) TSHRHPGDTHRBTHRA
SCHEMBL544590 0.71 TSHR (0.45) TSHRHPGDTHRBTHRA
SCHEMBL9545994 0.71 TSHR (0.45) TSHRHPGDTHRBTHRA
SCHEMBL16694128 0.70 TSHR (0.45) TSHRHPGDTHRBTHRA
SCHEMBL865527 0.70 TSHR (0.44) TSHRHPGDTHRBTHRA
SCHEMBL26503 0.70 TSHR (0.44) TSHRHPGDTHRBTHRA
SCHEMBL28549177 0.70 TSHR (0.44) TSHRHPGDTHRBTHRA
SCHEMBL28219904 0.70 TSHR (0.44) TSHRHPGDTHRBTHRA

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
CN-102395664-B Use of comb polymers for improving load-bearing capacity 赢创油品添加剂有限公司 2017-02-08 CN disclosed