⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18884094 | 0.85 | — | — | |
| SCHEMBL27979812 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL10996647 | 0.82 | TSHR (0.31) | — | |
| SCHEMBL8721696 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL28006506 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL2329479 | 0.79 | — | — | |
| SCHEMBL28735824 | 0.78 | — | — | |
| SCHEMBL27869105 | 0.78 | — | — | |
| SCHEMBL28540509 | 0.78 | CHRM2 (0.33) | — | |
| SCHEMBL27885629 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558465-B1 | TRICYCLIC PYRIDYL-VINYL-PYROLES AS PAR1 INHIBITORS | SANOFI SA (FR) | 2014-12-17 | — | — | EP | disclosed |
| EP-2558465-A1 | TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS | SANOFI (FR) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128421-A1 | TRICYCLIC PYRIDYL-VINYL PYRROLES AS PAR1 INHIBITORS | SANOFI (FR) | 2011-10-20 | — | — | WO | disclosed |
| EP-0176903-A1 | Thiomorpholines | MERCK PATENT GmbH (DE) | 1986-04-09 | — | — | EP | disclosed |