⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4229324 | 1.00 | — | — | |
| SCHEMBL697886 | 0.97 | — | — | |
| SCHEMBL697887 | 0.97 | — | — | |
| SCHEMBL9530406 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28009514 | 0.95 | — | — | |
| SCHEMBL28147592 | 0.95 | ADH1B (0.46) | — | |
| Benzene SCHEMBL28325661 | 0.92 | ADH1B (0.43) | — | |
| Alanine SCHEMBL23044934 | 0.88 | ADH1B (0.40) | — | |
| Nitrous Acid SCHEMBL8342017 | 0.88 | ADH1B (0.40) | — | |
| Nitrous Acid SCHEMBL8342021 | 0.88 | ADH1B (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572795-B2 | Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-11 | — | — | US | disclosed |
| US-20090156555-A1 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-06-18 | — | — | US | disclosed |
| CN-101395158-A | Pyrrolotriazine aniline prodrug compounds useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-03-25 | — | — | CN | disclosed |
| EP-2001886-A2 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007103839-A2 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-13 | — | — | WO | disclosed |
| US-20070213300-A1 | PYRROLOTRIAZINE ANILINE PRODRUG COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-09-13 | — | — | US | disclosed |