SCHEMBL9687196

SCHEMBL9687196

C=C(C)C(=O)OC(C)O.C=CC(=C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.31

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
SCHEMBL9515129 0.91 TSHR (0.43) TSHRALDH1A1THRB
Acrylic Acid SCHEMBL27980475 0.90 LMNA (0.40) TSHRALDH1A1
Acrylic Acid SCHEMBL4797249 0.90 LMNA (0.40) TSHRALDH1A1
Butadiene SCHEMBL20577815 0.89 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL11125870 0.89
SCHEMBL27553112 0.89 TSHR (0.48) TSHRALDH1A1TP53THRB
SCHEMBL20364 0.89
SCHEMBL10762910 0.89
Acrylamide SCHEMBL3414682 0.88 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL6746515 0.88 TSHR (0.38) TSHRALDH1A1

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-5081180-A Graft copolymers as polyether stabilizers THE DOW CHEMICAL COMPANY 1992-01-14 US disclosed