⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13600571 | 1.00 | — | — | |
| SCHEMBL29525585 | 1.00 | — | — | |
| SCHEMBL29525266 | 1.00 | — | — | |
| SCHEMBL13607589 | 1.00 | — | — | |
| SCHEMBL14993672 | 1.00 | — | — | |
| SCHEMBL5868615 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10515876 | 0.80 | GBA1 (0.34) | — | |
| SCHEMBL462864 | 0.79 | — | — | |
| SCHEMBL505753 | 0.79 | — | — | |
| SCHEMBL1313595 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023227125-A1 | NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF | 杭州德睿智药科技有限公司 | 2023-11-30 | — | — | WO | disclosed |
| EP-1699798-A4 | DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1569937-A4 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL MYERS SQUIBB CO (US) | 2007-08-08 | — | — | EP | disclosed |
| EP-1699798-A2 | DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2006-09-13 | — | — | EP | disclosed |
| EP-1569937-A2 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | Bristol-Myers Squibb Company (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2005065266-A2 | DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-21 | — | — | WO | disclosed |
| WO-2004054514-A2 | C-6 MODIFIED INDAZOLYLPYRROLOTRIAZINES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-07-01 | — | — | WO | disclosed |