⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8536555 | 0.78 | — | — | |
| SCHEMBL8087656 | 0.74 | HTR2B (0.32) | — | |
| SCHEMBL20243799 | 0.73 | — | — | |
| SCHEMBL20010370 | 0.67 | — | — | |
| SCHEMBL9451720 | 0.66 | KDM4E (0.41) | — | |
| SCHEMBL3678761 | 0.65 | HAVCR2 (0.36) | — | |
| SCHEMBL7476062 | 0.64 | — | — | |
| SCHEMBL5173932 | 0.62 | — | — | |
| SCHEMBL438580 | 0.62 | — | — | |
| SCHEMBL3022981 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1183033-A4 | PYRROLOTRIAZINE INHIBITORS OF KINASES | BRISTOL MYERS SQUIBB CO (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-1183033-A1 | PYRROLOTRIAZINE INHIBITORS OF KINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000071129-A1 | PYRROLOTRIAZINE INHIBITORS OF KINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-11-30 | — | — | WO | disclosed |