⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16980413 | 1.00 | — | — | |
| SCHEMBL14206169 | 0.83 | — | — | |
| SCHEMBL14114610 | 0.81 | EHMT2 (0.30) | — | |
| SCHEMBL21555964 | 0.77 | — | — | |
| SCHEMBL16980416 | 0.77 | — | — | |
| SCHEMBL18780413 | 0.77 | — | — | |
| SCHEMBL20686870 | 0.74 | — | — | |
| SCHEMBL15810556 | 0.72 | — | — | |
| SCHEMBL13893859 | 0.72 | — | — | |
| SCHEMBL21219650 | 0.71 | DPP4 (0.35) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9969694-B2 | N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2018-05-15 | — | — | US | disclosed |