⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13943567 | 0.68 | — | — | |
| SCHEMBL28207015 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL11320669 | 0.58 | LPO (0.44) | — | |
| SCHEMBL19503374 | 0.54 | — | — | |
| SCHEMBL19027634 | 0.54 | — | — | |
| SCHEMBL5044668 | 0.53 | ATAD2 (0.46) | — | |
| SCHEMBL12801016 | 0.53 | — | — | |
| SCHEMBL3050104 | 0.51 | LPO (0.37) | — | |
| SCHEMBL18656113 | 0.49 | LPO (0.35) | — | |
| SCHEMBL25137482 | 0.46 | CASP6 (0.32) | — |
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-5098707-A | Thioimidazolium salts as anticoagulants for platelet aggregation inhibitors | MERCK & CO., INC. (US) | 1992-03-24 | — | — | US | disclosed |
| US-5030644-A | Thrombolytic, fibrinolytic therapy | MERCK & CO., INC. (US) | 1991-07-09 | — | — | US | disclosed |
| EP-0411705-A1 | Imidazole compounds and their use as transglutaminase inhibitors | MERCK & CO. INC. (US) | 1991-02-06 | — | — | EP | disclosed |