⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22774824 | 1.00 | — | — | |
| SCHEMBL4950183 | 0.74 | — | — | |
| SCHEMBL1696277 | 0.74 | — | — | |
| SCHEMBL6621767 | 0.74 | — | — | |
| SCHEMBL1560841 | 0.74 | — | — | |
| SCHEMBL9563242 | 0.74 | IDO1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9984331 | 0.72 | IDO1 (0.42) | — | |
| SCHEMBL1311493 | 0.70 | — | — | |
| SCHEMBL27753471 | 0.70 | — | — | |
| SCHEMBL15974149 | 0.69 | ALOX5 (0.45) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1963329-A2 | INHIBITORS OF C-MET AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007064797-A2 | INHIBITORS OF C-MET AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-06-07 | — | — | WO | disclosed |