⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14002501 | 0.83 | — | — | |
| SCHEMBL13997577 | 0.80 | EPHX1 (0.31) | — | |
| SCHEMBL17154462 | 0.75 | — | — | |
| SCHEMBL17303072 | 0.70 | — | — | |
| SCHEMBL27951802 | 0.70 | — | — | |
| SCHEMBL16203293 | 0.69 | — | — | |
| SCHEMBL13881437 | 0.69 | NEU4 (0.32) | — | |
| SCHEMBL18028046 | 0.69 | NEU4 (0.32) | — | |
| SCHEMBL18028045 | 0.68 | — | — | |
| SCHEMBL27592452 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2841437-B1 | IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION | BRISTOL MYERS SQUIBB CO (US) | 2017-07-05 | — | — | EP | disclosed |
| EP-2242742-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2015-12-02 | — | — | EP | disclosed |