⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26967645 | 0.77 | TDP1 (0.52) | — | |
| SCHEMBL1703400 | 0.65 | — | — | |
| SCHEMBL13955126 | 0.62 | NOS3 (0.43) | — | |
| SCHEMBL21682414 | 0.62 | HTT (0.43) | — | |
| SCHEMBL1991174 | 0.62 | RRM2 (0.30) | — | |
| SCHEMBL5375502 | 0.60 | NOS3 (0.38) | — | |
| SCHEMBL29956438 | 0.60 | ALDH1A1 (0.47) | — | |
| SCHEMBL20633628 | 0.60 | RRM2 (0.32) | — | |
| SCHEMBL21715815 | 0.59 | CFTR (0.40) | — | |
| SCHEMBL1703369 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022261524-A1 | HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2, COMPOSITION AND APPLICATION THEREOF | ACCRO BIOSCIENCE (HK) LIMITED (CN) | 2022-12-15 | — | — | WO | disclosed |
| EP-1195378-B1 | Pyridotriazines and pyridopyridazines | WARNER LAMBERT CO (US) | 2008-01-23 | — | — | EP | disclosed |
| US-6683183-B2 | BICYCLIC HETEROCYCLES THAT INHIBIT CYCLIN-DEPENDENT KINASE OR TYROSINE KINASE ENZYMES, OR BOTH, FOR TREATMENT OF PROLIFERATIVE DISORDERS | WARNER-LAMBERT COMPANY | 2004-01-27 | — | — | US | disclosed |
| US-20020061865-A1 | Pyridotriazines and pyridopyridazines | KRAMER JAMES BERNARD (US) | 2002-05-23 | — | — | US | disclosed |
| EP-1195378-A1 | Pyridotriazines and pyridopyridazines | WARNER-LAMBERT COMPANY (US) | 2002-04-10 | — | — | EP | disclosed |