⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6556320 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8438325 | 0.75 | — | — | |
| SCHEMBL11646982 | 0.69 | — | — | |
| SCHEMBL9687572 | 0.65 | — | — | |
| SCHEMBL16971033 | 0.65 | — | — | |
| SCHEMBL611093 | 0.65 | — | — | |
| SCHEMBL6668165 | 0.64 | — | — | |
| SCHEMBL6636264 | 0.64 | GSK3A (0.30) | — | |
| SCHEMBL18797843 | 0.64 | — | — | |
| SCHEMBL6526532 | 0.62 | — | — |
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-0971899-A4 | HEXAHYDROINDENOPYRIDINE COMPOUNDS HAVING ANTISPERMATOGENIC ACTIVITY | RES TRIANGLE INST (US) | 2000-05-17 | — | — | EP | claimed |
| EP-0971899-A1 | HEXAHYDROINDENOPYRIDINE COMPOUNDS HAVING ANTISPERMATOGENIC ACTIVITY | RESEARCH TRIANGLE INSTITUTE (US) | 2000-01-19 | — | — | EP | claimed |
| WO-1998033525-A1 | HEXAHYDROINDENOPYRIDINE COMPOUNDS HAVING ANTISPERMATOGENIC ACTIVITY | RESEARCH TRIANGLE INSTITUTE (US) | 1998-08-06 | — | — | WO | claimed |