⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL902094 | 0.73 | — | — | |
| SCHEMBL902113 | 0.73 | — | — | |
| SCHEMBL9381557 | 0.60 | — | — | |
| SCHEMBL8942116 | 0.57 | — | — | |
| SCHEMBL3943291 | 0.53 | — | — | |
| SCHEMBL2339032 | 0.49 | — | — | |
| SCHEMBL11204917 | 0.36 | — | — | |
| SCHEMBL72400 | 0.36 | — | — | |
| SCHEMBL73936 | 0.36 | — | — | |
| SCHEMBL2704746 | 0.36 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3954753-A | SEDATIVES, MUSCLE RELAXANTS, ANTICONVULSANTS | HOFFMANN-LA ROCHE INC. (US) | 1976-05-04 | — | — | US | disclosed |
| US-3954753-A | SEDATIVES, MUSCLE RELAXANTS, ANTICONVULSANTS | HOFFMANN-LA ROCHE INC. (US) | 1976-05-04 | — | — | US | disclosed |
| US-3880840-A | Pyrazino-1,4-diazepines | HOFFMANN LA ROCHE | 1975-04-29 | — | — | US | disclosed |
| US-3880840-A | Pyrazino-1,4-diazepines | HOFFMANN LA ROCHE | 1975-04-29 | — | — | US | disclosed |