SCHEMBL8965784

SCHEMBL8965784

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2585229 0.86 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20854815 0.86 TSHR (0.68) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28389880 0.85 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27216399 0.85 TSHR (0.57) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8966160 0.84 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL8965866 0.84 TSHR (0.49) TSHRTHRBALDH1A1
SCHEMBL8965966 0.83 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL3676540 0.83 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL2845656 0.82 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL3503123 0.82 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1

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