⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16131244 | 0.78 | — | — | |
| SCHEMBL23558601 | 0.74 | — | — | |
| SCHEMBL20805286 | 0.70 | — | — | |
| SCHEMBL18388482 | 0.69 | — | — | |
| SCHEMBL24709366 | 0.66 | — | — | |
| SCHEMBL517100 | 0.65 | — | — | |
| SCHEMBL23231232 | 0.65 | — | — | |
| SCHEMBL19884648 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL27838777 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL10572428 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018075842-A1 | CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-26 | — | — | WO | disclosed |