SCHEMBL8965528

SCHEMBL8965528

C=C(C)C(=O)OCC(C)CC(O)OC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL31059270 0.85 TSHR (0.69) TSHRTHRBALDH1A1
SCHEMBL8965555 0.84 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL8965845 0.84 TSHR (0.58) TSHRTHRBALDH1A1
SCHEMBL7665484 0.84 TSHR (0.62) TSHRTHRBALDH1A1
SCHEMBL11046041 0.83 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL539233 0.83 TSHR (0.61) TSHRTHRBALDH1A1
SCHEMBL243129 0.82 TSHR (0.41) TSHRTHRBALDH1A1
SCHEMBL11749779 0.82 TSHR (0.70) TSHRTHRBALDH1A1
SCHEMBL9577201 0.81 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL8966139 0.81 TSHR (0.45) TSHRTHRBALDH1A1

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-5547762-A THERMOSETTING RESIN LAYER BRIDGESTONE CORPORATION (JP) 1996-08-20 US disclosed