⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11237977 | 1.00 | — | — | |
| SCHEMBL5155976 | 0.86 | — | — | |
| SCHEMBL12505723 | 0.84 | — | — | |
| SCHEMBL31570726 | 0.82 | — | — | |
| SCHEMBL31570729 | 0.82 | — | — | |
| SCHEMBL4707967 | 0.81 | — | — | |
| SCHEMBL4707971 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL31513934 | 0.79 | — | — | |
| SCHEMBL12505722 | 0.77 | — | — | |
| SCHEMBL12505724 | 0.77 | — | — |
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-0057777-A1 | Dibenzoxazonine, dibenzoxazecine, dibenzoxaazacycloundecane derivatives and their corresponding thia- and aza derivatives, their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1982-08-18 | — | — | EP | disclosed |
| WO-1982002199-A1 | TRICYCLIC COMPOUNDS | AKZO NV (NL) | 1982-07-08 | — | — | WO | disclosed |