⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9187945 | 0.77 | TRPA1 (0.36) | — | |
| SCHEMBL710762 | 0.67 | — | — | |
| SCHEMBL7974588 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL13665462 | 0.62 | CRBN (0.47) | — | |
| SCHEMBL171230 | 0.62 | CRBN (0.40) | — | |
| SCHEMBL708902 | 0.60 | — | — | |
| SCHEMBL4591696 | 0.60 | GSK3A (0.43) | — | |
| SCHEMBL2762093 | 0.60 | ALDH1A1 (0.42) | — | |
| SCHEMBL5416241 | 0.60 | GSK3B (0.35) | — | |
| SCHEMBL502060 | 0.60 | ALDH1A1 (0.42) | — |
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-3201193-A1 | BENZENECARBOTHIOCCYCLOPENTA[C]PYRROLE-1,3-DIONE COMPOUNDS AND PROCESS FOR SYNTHESIS THEREOF | Council of Scientific and Industrial Research (IN) | 2017-08-09 | — | — | EP | disclosed |
| WO-2016051425-A1 | BENZENECARBOTHIOCCYCLOPENTA[C] PYRROLE-1,3-DIONE COMPOUNDS AND PROCESS FOR SYNTHESIS THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-04-07 | — | — | WO | disclosed |