⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19785140 | 0.75 | — | — | |
| SCHEMBL19785141 | 0.75 | — | — | |
| SCHEMBL12151082 | 0.73 | — | — | |
| SCHEMBL14231587 | 0.72 | — | — | |
| SCHEMBL10110521 | 0.72 | — | — | |
| SCHEMBL10119627 | 0.72 | GANAB (0.31) | — | |
| SCHEMBL10110513 | 0.69 | TRPA1 (0.31) | — | |
| SCHEMBL28325797 | 0.65 | — | — | |
| SCHEMBL4080452 | 0.63 | — | — | |
| SCHEMBL21136352 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120157403-A1 | BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS | CHACKALAMANNIL SAMUEL (US) | 2012-06-21 | — | — | US | disclosed |
| US-8153664-B2 | thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer | SCHERING CORPORATION (US) | 2012-04-10 | — | — | US | disclosed |
| US-20080090830-A1 | Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists | SCHERING CORPORATION | 2008-04-17 | — | — | US | disclosed |