⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8107434 | 0.71 | TAAR1 (0.34) | — | |
| SCHEMBL3835906 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL30816307 | 0.70 | HTR1A (0.43) | — | |
| SCHEMBL17727866 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL28668392 | 0.69 | SLC6A3 (0.41) | — | |
| SCHEMBL8039521 | 0.68 | PNMT (0.39) | — | |
| SCHEMBL28532101 | 0.66 | DRD1 (0.41) | — | |
| SCHEMBL3833469 | 0.64 | NSD2 (0.40) | — | |
| SCHEMBL9196763 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL1029304 | 0.62 | KDM4E (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946508-B1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2009-09-23 | — | — | EP | disclosed |
| US-6548512-B1 | Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-04-15 | — | — | US | disclosed |
| US-6020357-A | CARDIOVASCULAR DISORDERS; ANTCOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-01 | — | — | US | disclosed |