SCHEMBL22552069

SCHEMBL22552069

[CH]1C=Cc2ccccc2S1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL348197 0.78
Water SCHEMBL19744946 0.76
SCHEMBL28340660 0.76
Water SCHEMBL19745732 0.76
SCHEMBL21858571 0.73 NPC1 (0.33)
Acetic Acid SCHEMBL11657145 0.68 NOX1 (0.33)
SCHEMBL4742301 0.67 TRPA1 (0.50) TRPA1
SCHEMBL5622867 0.67
SCHEMBL6199756 0.66
SCHEMBL6202327 0.65 GAA (0.30)

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-11639415-B2 BPA-free coatings BATTELLE MEMORIAL INSTITUTE (US) 2023-05-02 US disclosed
US-20200332055-A1 BPA-FREE COATINGS BATTELLE MEMORIAL INSTITUTE 2020-10-22 US disclosed