SCHEMBL30994049

SCHEMBL30994049

Cc1cc(C(F)(F)F)cc(O)c1-c1cc2c(C#N)c[nH]c2nn1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 20/20 0.47
▸ TNF P01375 3/20 0.43
▸ NLRP3 Q96P20 1/20 0.43

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
SCHEMBL31637414 0.72 IL1B (0.51) IL1BTNFNLRP3
SCHEMBL22695045 0.72 IL1B (0.61) IL1BTNFNLRP3
SCHEMBL30993862 0.70 IL1B (0.52) IL1BTNF
SCHEMBL30994520 0.69 IL1B (0.53) IL1BTNFNLRP3
SCHEMBL22655138 0.68 IL1B (0.57) IL1BTNFNLRP3
SCHEMBL22695042 0.68 IL1B (0.57) IL1BTNFNLRP3
SCHEMBL22671996 0.65 IL1B (0.54) IL1BTNFNLRP3
SCHEMBL30413746 0.65 IL1B (0.41) IL1BTNFNLRP3
SCHEMBL22654856 0.65 IL1B (0.58) IL1BTNFNLRP3
SCHEMBL22670556 0.65 IL1B (0.60) IL1BTNFNLRP3

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
EP-4656635-A1 SUBSTITUTED BENZENE COMPOUND Daiichi Sankyo Company, Limited (JP) 2025-12-03 — — EP disclosed
WO-2024157953-A1 SUBSTITUTED BENZENE COMPOUND 第一三共株式会社 2024-08-02 — — WO disclosed
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