SCHEMBL10981981

SCHEMBL10981981

CC(CCl)(CCl)C(=O)CBr

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
TSHR P16473 1/20 0.32

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
SCHEMBL10820873 0.79
SCHEMBL11101091 0.76 TRPA1 (0.38) TRPA1TSHR
SCHEMBL455522 0.74 TRPA1 (0.36) TRPA1TSHR
SCHEMBL112282 0.71
SCHEMBL180091 0.71 TRPA1 (0.44) TRPA1TSHR
SCHEMBL1114745 0.69
SCHEMBL10804129 0.69
SCHEMBL5527565 0.69
SCHEMBL2974804 0.69
SCHEMBL11388924 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4501753-A WITH IKARUGAMYCIN BAYER AKTIENGESELLSCHAFT (DE) 1985-02-26 US disclosed
EP-0063742-A2 Substituted carbamoyloximino-tetrahydrothiophenes, process for their preparation and their use as fungicides BAYER AG (DE) 1982-11-03 EP disclosed
US-4255434-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed