⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1515581 | 0.71 | PKM (0.32) | — | |
| SCHEMBL4867393 | 0.71 | — | — | |
| SCHEMBL3714826 | 0.69 | — | — | |
| SCHEMBL3209516 | 0.69 | — | — | |
| SCHEMBL18394706 | 0.67 | — | — | |
| SCHEMBL15340982 | 0.67 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL14955726 | 0.67 | — | — | |
| SCHEMBL27934950 | 0.67 | — | — | |
| SCHEMBL540102 | 0.67 | — | — | |
| SCHEMBL10332168 | 0.65 | FFAR3 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7176207-B2 | Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-02-13 | — | — | US | disclosed |
| US-20060135532-A1 | Platelet adenosine diphosphate receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-22 | — | — | US | disclosed |
| US-7026323-B2 | Platelet adenosine diphosphate receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-04-11 | — | — | US | disclosed |
| US-6995156-B2 | Platelet adenosine diphosphate receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-02-07 | — | — | US | disclosed |
| US-20050065163-A1 | Platelet adenosine diphosphate receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-03-24 | — | — | US | disclosed |
| US-6861424-B2 | Platelet adenosine diphosphate receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-03-01 | — | — | US | disclosed |
| US-20050038037-A1 | Platelet adenosine diphosphate receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-02-17 | — | — | US | disclosed |
| EP-1412349-A2 | PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS | Schering Aktiengesellschaft (DE) | 2004-04-28 | — | — | EP | disclosed |
| US-20030060474-A1 | Platelet adenosine diphosphate receptor antagonists | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-03-27 | — | — | US | disclosed |
| WO-2002098856-A2 | PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-12-12 | — | — | WO | disclosed |