⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2937162 | 1.00 | — | — | |
| SCHEMBL11619905 | 1.00 | — | — | |
| SCHEMBL12519277 | 1.00 | — | — | |
| SCHEMBL18643470 | 1.00 | — | — | |
| SCHEMBL14707875 | 1.00 | — | — | |
| SCHEMBL2937161 | 1.00 | — | — | |
| SCHEMBL14887039 | 1.00 | — | — | |
| SCHEMBL3832177 | 0.97 | — | — | |
| SCHEMBL11789675 | 0.84 | — | — | |
| SCHEMBL9861737 | 0.83 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773791-B1 | PYRROLOTRIAZINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2010-09-22 | — | — | EP | disclosed |
| US-7102003-B2 | Pyrrolotriazine compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-05 | — | — | US | disclosed |
| US-20060014745-A1 | Pyrrolotriazine compounds | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-19 | — | — | US | disclosed |