⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38663400 | 0.69 | — | — | |
| SCHEMBL8683689 | 0.67 | KEAP1 (0.31) | — | |
| SCHEMBL9853328 | 0.65 | EBP (0.31) | — | |
| SCHEMBL82843 | 0.64 | — | — | |
| SCHEMBL947864 | 0.64 | — | — | |
| Bromide SCHEMBL27835668 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL28369527 | 0.63 | — | — | |
| SCHEMBL28481306 | 0.61 | — | — | |
| SCHEMBL5184879 | 0.60 | — | — | |
| SCHEMBL2584327 | 0.60 | — | — |
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-0413300-A1 | Pyrido [3,4-b][1,4] benzoxazepines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-02-20 | — | — | EP | disclosed |
| US-4940704-A | Pyrido[3,4-b][1,4]benzoxazepines | HOECHST-ROUSSEL PHARMACEUTICAL INC. (US) | 1990-07-10 | — | — | US | disclosed |