⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29038753 | 0.98 | — | — | |
| SCHEMBL4555233 | 0.75 | — | — | |
| SCHEMBL1462263 | 0.75 | — | — | |
| SCHEMBL9902151 | 0.74 | — | — | |
| SCHEMBL2308480 | 0.72 | — | — | |
| SCHEMBL18754315 | 0.68 | — | — | |
| SCHEMBL11297318 | 0.61 | — | — | |
| SCHEMBL7049693 | 0.61 | — | — | |
| SCHEMBL9333338 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL6438393 | 0.59 | ALDH1A1 (0.42) | — |
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-2114954-A1 | BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS | Rigel Pharmaceuticals, Inc. (US) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008083353-A1 | BICYCLIC ARYL AND BICYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2008-07-10 | — | — | WO | disclosed |