SCHEMBL4643109

SCHEMBL4643109

C=C(C)C(=O)OC(CCl)CC#N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.33
THRB P10828 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
SCHEMBL13756126 0.89 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL1130699 0.83 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL7716828 0.82 AR (0.35) TSHR
SCHEMBL7723645 0.82 AR (0.35) TSHR
SCHEMBL7719955 0.82 AR (0.35) TSHR
SCHEMBL11343999 0.78 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL28321992 0.77 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL7719953 0.75 MEN1 (0.38)
Trimethylammonium SCHEMBL10431541 0.74 TSHR (0.36) TSHRALDH1A1THRB
SCHEMBL3851752 0.74 TSHR (0.36) TSHRALDH1A1THRB

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
EP-1473291-B1 PROCESS FOR PRODUCING LACTONE MITSUBISHI RAYON CO (JP) 2008-08-13 EP disclosed