⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3706334 | 0.86 | CYP3A4 (0.34) | — | |
| SCHEMBL1864809 | 0.82 | — | — | |
| SCHEMBL5323151 | 0.81 | CYP3A4 (0.34) | — | |
| SCHEMBL15568763 | 0.79 | CYP3A4 (0.37) | — | |
| SCHEMBL31078599 | 0.79 | — | — | |
| SCHEMBL4175653 | 0.79 | — | — | |
| SCHEMBL27181788 | 0.79 | CYP3A4 (0.33) | — | |
| SCHEMBL16647371 | 0.77 | — | — | |
| SCHEMBL15579618 | 0.77 | CYP3A4 (0.42) | — | |
| SCHEMBL17878109 | 0.77 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125935-A1 | BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-07-06 | — | — | WO | disclosed |
| EP-2321301-A1 | NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2011-05-18 | — | — | EP | disclosed |
| EP-2240475-A1 | THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS | Novartis AG (CH) | 2010-10-20 | — | — | EP | disclosed |
| EP-2238134-A2 | BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | Novartis AG (CH) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009157860-A1 | NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2009-12-30 | — | — | WO | disclosed |
| WO-2009080694-A1 | THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009080705-A2 | BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| WO-2009004383-A2 | AZA-BICYCLOHEXANE COMPOUNDS USEFUL AS ANTICOAGULANTS | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |