⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1188350 | 0.76 | CRHR1 (0.32) | — | |
| SCHEMBL3669153 | 0.75 | — | — | |
| SCHEMBL1205206 | 0.71 | CRHR1 (0.30) | — | |
| SCHEMBL1188700 | 0.60 | — | — | |
| SCHEMBL1205504 | 0.59 | CDK1 (0.33) | — | |
| SCHEMBL4966791 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL9275597 | 0.55 | — | — | |
| SCHEMBL3687641 | 0.55 | ALDH1A1 (0.45) | — | |
| SCHEMBL1205826 | 0.54 | — | — | |
| SCHEMBL7221454 | 0.54 | MEN1 (0.55) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9079906-B2 | Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments | SANOFI (FR) | 2015-07-14 | — | — | US | disclosed |
| US-8853206-B2 | Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments | SANOFI (FR) | 2014-10-07 | — | — | US | disclosed |
| US-8198272-B2 | Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments | SANOFI-AVENTIS (FR) | 2012-06-12 | — | — | US | disclosed |
| US-8076336-B2 | Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments | SANOFI-AVENTIS (FR) | 2011-12-13 | — | — | US | disclosed |