⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11040752 | 0.73 | — | — | |
| SCHEMBL11038245 | 0.69 | GAA (0.53) | — | |
| SCHEMBL2913238 | 0.69 | GAA (0.56) | — | |
| SCHEMBL6912163 | 0.66 | GRIN2D (0.31) | — | |
| SCHEMBL3677581 | 0.64 | CYP1A2 (0.42) | — | |
| SCHEMBL28960733 | 0.63 | — | — | |
| SCHEMBL28670460 | 0.63 | — | — | |
| SCHEMBL29374990 | 0.63 | — | — | |
| SCHEMBL28911523 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL1221783 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0116444-A2 | Improvements in or relating to benzazepine derivatives | ELI LILLY AND COMPANY (US) | 1984-08-22 | — | — | EP | disclosed |