SCHEMBL23764702

SCHEMBL23764702

COC(OC(C)OC(O)CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 20/20 0.52

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
SCHEMBL23764643 0.88 CHRM5 (0.56) CHRM5
SCHEMBL23764713 0.86 CHRM5 (0.53) CHRM5
SCHEMBL23764618 0.84 CHRM5 (0.51) CHRM5
SCHEMBL23764661 0.80 CHRM5 (0.67) CHRM5
SCHEMBL23764621 0.80 CHRM5 (0.43) CHRM5
SCHEMBL23764670 0.79 CHRM5 (0.55) CHRM5
SCHEMBL23764645 0.79 CHRM5 (0.54) CHRM5
SCHEMBL23764704 0.79 CHRM5 (0.55) CHRM5
SCHEMBL23764689 0.78 CHRM5 (0.56) CHRM5
SCHEMBL23764647 0.75 PARK7 (0.51) CHRM5

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
WO-2021162650-A1 5-FLUORO/5-TRIFLUOROMETHOXY-1H-INDOLE-2,3-DIONE 3-(4-PHENYLTHIOSEMICARBAZONE) DERIVATIVES AS INTERLEUKIN 1 (IL-1) ANTAGONISTS AND ANTI-PYRETIC AND/OR ANTI-INFLAMMATORY AGENTS FOR USE IN TREATING E.G. BEHÇET'S DISEASE ISTANBUL UNIVERSITESI (TR) 2021-08-19 WO disclosed