⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24013956 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL19332862 | 0.62 | HDAC8 (0.32) | — | |
| SCHEMBL2042126 | 0.62 | ALDH1A1 (0.34) | — | |
| SCHEMBL10872328 | 0.62 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL14349077 | 0.60 | ALDH1A1 (0.40) | — | |
| SCHEMBL22435322 | 0.59 | LMNA (0.35) | — | |
| SCHEMBL5175523 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL279728 | 0.59 | KDM4E (0.31) | — | |
| SCHEMBL12507811 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL77684 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0057428-B1 | TRICYCLIC PYRROLS, PROCESS FOR THEIR PREPARATION, THEIR USE AND COMPOSITIONS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1985-04-10 | — | — | EP | disclosed |
| US-4363816-A | TREATMENT OF GASTROINTESTINAL DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-12-14 | — | — | US | disclosed |
| EP-0057428-A2 | Tricyclic pyrrols, process for their preparation, their use and compositions containing them | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1982-08-11 | — | — | EP | disclosed |