⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27868011 | 0.81 | CYP3A4 (0.37) | — | |
| SCHEMBL2910176 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL5983089 | 0.77 | — | — | |
| SCHEMBL14410696 | 0.73 | CCR6 (0.31) | — | |
| SCHEMBL10284706 | 0.72 | — | — | |
| SCHEMBL20216837 | 0.72 | — | — | |
| SCHEMBL8577723 | 0.70 | — | — | |
| SCHEMBL28629176 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL30881387 | 0.69 | HSD11B1 (0.31) | — | |
| SCHEMBL24093297 | 0.68 | SLC6A3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1706398-B1 | Amino-benzazoles as P2Y1 receptor inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2014-05-21 | — | — | EP | disclosed |
| US-8053450-B2 | P2Y1 Purinoreceptor; thromboembolic disorders; compounds are 2-((hetero)arylamino) benzimidazoles, benzoxazoles or benzothiazoles such as [2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-(6-methyl-1H-benzoimidazol-2-yl)-amine | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-11-08 | — | — | US | disclosed |
| US-7470712-B2 | Amino-benzazoles as P2Y1 receptor inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080275090-A1 | AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS | BRISTOL-MYERS SQUIBB COMPANY | 2008-11-06 | — | — | US | disclosed |
| US-20050203146-A1 | Amino-benzazoles as P2Y1 receptor inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-15 | — | — | US | disclosed |