⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21936362 | 1.00 | — | — | |
| SCHEMBL6168091 | 0.84 | — | — | |
| SCHEMBL1306372 | 0.77 | — | — | |
| SCHEMBL1543414 | 0.77 | — | — | |
| SCHEMBL31470025 | 0.75 | — | — | |
| SCHEMBL22048688 | 0.75 | — | — | |
| SCHEMBL1414467 | 0.70 | — | — | |
| SCHEMBL1671827 | 0.69 | — | — | |
| SCHEMBL5101180 | 0.63 | — | — | |
| SCHEMBL2385750 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2897941-B1 | PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2016-09-07 | — | — | EP | disclosed |