SCHEMBL29633248

SCHEMBL29633248

Cn1ccc(-c2cc(C(=O)O)ccc2C(F)(F)F)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.62
▸ NTRK3 Q16288 1/20 0.61

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
SCHEMBL17110550 1.00 NTRK1 (0.62) NTRK1NTRK3
SCHEMBL17111096 0.88 NTRK1 (0.59) NTRK1NTRK3
SCHEMBL17130017 0.88 NTRK1 (0.63) NTRK1
SCHEMBL17110681 0.85 NTRK1 (0.59) NTRK1NTRK3
SCHEMBL17110737 0.83 NTRK1 (0.55) NTRK1NTRK3
SCHEMBL17110581 0.80 NTRK1 (0.59) NTRK1NTRK3
SCHEMBL17110584 0.79 NTRK1 (0.63) NTRK1NTRK3
SCHEMBL17111464 0.78 NTRK1 (0.61) NTRK1
SCHEMBL17111157 0.78 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL17110589 0.77 NTRK1 (0.60) NTRK1

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
EP-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 — — EP disclosed
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