SCHEMBL24611654

SCHEMBL24611654

CC(C)n1cnc2c1c(=O)n(CC1CCC(O)(C(F)(F)F)CO1)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 19/20 0.56
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL17682147 0.89 TRPA1 (0.48) TRPA1
SCHEMBL17682140 0.87 TRPA1 (0.50) TRPA1
SCHEMBL24611655 0.85 KMT2A (0.46) TRPA1KMT2A
SCHEMBL19607680 0.83 KMT2A (0.44) TRPA1KMT2A
SCHEMBL17682130 0.80 TRPA1 (0.48) TRPA1KMT2A
SCHEMBL19607831 0.78 TRPA1 (0.47) TRPA1
SCHEMBL19601306 0.77 TRPA1 (0.53) TRPA1KMT2A
SCHEMBL17682303 0.75 TRPA1 (0.54) TRPA1KMT2A
SCHEMBL19601302 0.75 TRPA1 (0.51) TRPA1
SCHEMBL17682128 0.75 ADORA2B (0.50) —

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
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 — — US disclosed
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