SCHEMBL19190010

SCHEMBL19190010

O=C/C=C/CN1CC(F)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 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
SCHEMBL28341443 1.00 TRPA1 (0.32) TRPA1
SCHEMBL23158235 0.74
SCHEMBL30787614 0.74
SCHEMBL30787619 0.74 TRPA1 (0.33) TRPA1
SCHEMBL19720763 0.74 TRPA1 (0.33) TRPA1
SCHEMBL23261666 0.71
SCHEMBL16654105 0.70 TRPA1 (0.36) TRPA1
SCHEMBL25185136 0.70
SCHEMBL20893392 0.70 TRPA1 (0.36) TRPA1
SCHEMBL14165625 0.70 TRPA1 (0.32) TRPA1

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-106831732-B Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity 默克专利有限公司 2019-12-24 CN disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 EP disclosed