SCHEMBL28452902

SCHEMBL28452902

C=C(COC(=O)Cl)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL9998119 0.81 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL5606632 0.75
SCHEMBL557426 0.74
SCHEMBL27582217 0.73 HPGD (0.38) ALDH1A1
SCHEMBL28442462 0.72
SCHEMBL28446222 0.71 TSHR (0.31) TSHRALDH1A1
SCHEMBL28443659 0.71
SCHEMBL28452730 0.71
SCHEMBL28449378 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9791264 0.71 CDK1 (0.32)

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
CN-111574658-B Structure of acrylic ester antifouling resin grafted with benzisothiazolinone formate monomer and preparation method thereof 海南大学 2021-10-22 CN disclosed
CN-111574658-A Structure of acrylic ester antifouling resin grafted with benzisothiazolinone formate monomer and preparation method thereof 海南大学 2020-08-25 CN disclosed