⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28192714 | 0.73 | — | — | |
| SCHEMBL2928495 | 0.73 | — | — | |
| SCHEMBL11571443 | 0.73 | — | — | |
| SCHEMBL28198396 | 0.73 | — | — | |
| SCHEMBL27352700 | 0.73 | — | — | |
| SCHEMBL4294302 | 0.70 | — | — | |
| SCHEMBL31634025 | 0.68 | — | — | |
| SCHEMBL4289823 | 0.68 | — | — | |
| SCHEMBL686654 | 0.67 | — | — | |
| SCHEMBL7163200 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0009780-B1 | OCTAHYDRO-1H-BENZO(4,5)FURO(3,2-E)ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-02-24 | — | — | EP | disclosed |
| US-4260761-A | Intermediates for the preparation of octahydro-1H-benzo[4,5]furo[3,2,-e]-isoquinoline analgesic and narcotic antagonistic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-04-07 | — | — | US | disclosed |
| US-4243668-A | Octahydro-1H-benzo[4,5]furo[3,2-e]-isoquinoline analgesic and narcotic antagonistic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| EP-0009780-A2 | Octahydro-1H-benzo(4,5)furo(3,2-e)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-04-16 | — | — | EP | disclosed |