⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1244329 | 0.82 | — | — | |
| SCHEMBL1387765 | 0.73 | — | — | |
| SCHEMBL522064 | 0.69 | HRH1 (0.56) | — | |
| SCHEMBL3343033 | 0.68 | — | — | |
| SCHEMBL17103650 | 0.68 | — | — | |
| SCHEMBL1581414 | 0.68 | GABRA1 (0.33) | — | |
| SCHEMBL791760 | 0.68 | — | — | |
| SCHEMBL1811443 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL4051693 | 0.67 | NOS2 (0.38) | — | |
| SCHEMBL7370547 | 0.66 | SIGMAR1 (0.44) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1064270-A2 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-01-03 | — | — | EP | claimed |
| WO-1999050255-A2 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-07 | — | — | WO | claimed |
| EP-1309589-A2 | UREA COMPOUNDS AND METHODS OF USES | Amgen Inc. (US) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002014311-A2 | UREA COMPOUNDS AND METHODS OF USES | AMGEN INC. (US) | 2002-02-21 | — | — | WO | disclosed |
| EP-1064270-A2 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-01-03 | — | — | EP | disclosed |
| US-6020357-A | CARDIOVASCULAR DISORDERS; ANTCOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-02-01 | — | — | US | disclosed |
| WO-1999050255-A2 | DISUBSTITUTED PYRAZOLINES AND TRIAZOLINES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-10-07 | — | — | WO | disclosed |
| EP-0946508-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028269-A1 | NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |