SCHEMBL29912731

SCHEMBL29912731

CN(Cc1cc(F)cc(F)c1F)C(=O)C(C)(C)C(C)(F)F

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 19/20 0.76
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34

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
SCHEMBL17882414 1.00 RIPK1 (0.76) RIPK1CES2CES1
SCHEMBL19448802 0.89 RIPK1 (0.76) RIPK1CES2CES1
SCHEMBL29912938 0.87 RIPK1 (1.00) RIPK1CES2CES1
SCHEMBL17882413 0.87 RIPK1 (1.00) RIPK1CES2CES1
SCHEMBL17882185 0.86 RIPK1 (0.71) RIPK1CES2CES1
SCHEMBL29912920 0.83 RIPK1 (1.00) RIPK1
SCHEMBL17882381 0.83 RIPK1 (1.00) RIPK1
SCHEMBL17882159 0.82 RIPK1 (0.56) RIPK1CES2CES1
SCHEMBL17882276 0.82 RIPK1 (0.74) RIPK1CES2CES1
SCHEMBL17882377 0.79 RIPK1 (0.72) RIPK1

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-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 — — CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 — — CN disclosed
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