SCHEMBL9780975

SCHEMBL9780975

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23494390 0.82 TSHR (0.41) TSHRALDH1A1
SCHEMBL11053273 0.81 TSHR (0.46) TSHRALDH1A1
SCHEMBL5177443 0.80 TSHR (0.50) TSHRALDH1A1
SCHEMBL4734217 0.80 TSHR (0.50) TSHRALDH1A1
SCHEMBL17300335 0.80 TSHR (0.39) TSHRALDH1A1
SCHEMBL2897495 0.79 TSHR (0.40) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL28882455 0.79 TSHR (0.45) TSHRALDH1A1
SCHEMBL22231005 0.79 TSHR (0.45) TSHRALDH1A1
SCHEMBL27615448 0.78 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL22231332 0.77 TSHR (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059667-A Copolymer with a vinyl monomer; molding material IDEMITSU PETROCHEMICAL COMPANY, LTD. (JP) 1991-10-22 US disclosed
EP-0379284-A2 Styrene-based polymer and method for the preparation thereof IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-07-25 EP disclosed