⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL334505 | 0.50 | — | — | |
| SCHEMBL869469 | 0.49 | — | — | |
| SCHEMBL10701772 | 0.45 | — | — | |
| SCHEMBL1324800 | 0.35 | ALDH1A1 (0.42) | — | |
| SCHEMBL29846477 | 0.35 | CDC25B (0.30) | — | |
| SCHEMBL30574445 | 0.35 | CDC25B (0.30) | — | |
| Pyrazine SCHEMBL5179 | 0.26 | — | — | |
| SCHEMBL28147 | 0.26 | — | — | |
| Pyrazine SCHEMBL1226089 | 0.26 | TSHR (0.50) | — | |
| SCHEMBL8512657 | 0.26 | HSP90AA1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2235016-B1 | AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI SA (FR) | 2013-09-18 | — | — | EP | disclosed |
| US-8394820-B2 | N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof | SANOFI (FR) | 2013-03-12 | — | — | US | disclosed |
| US-20110009444-A1 | N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-13 | — | — | US | disclosed |
| EP-2235016-A1 | AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009112679-A1 | AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2009-09-17 | — | — | WO | disclosed |
| EP-0632040-A1 | Antibacterial imidazole derivatives | Takeda Chemical Industries, Ltd. (JP) | 1995-01-04 | — | — | EP | disclosed |