⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18463760 | 1.00 | — | — | |
| SCHEMBL24852252 | 0.77 | TDP1 (0.32) | — | |
| SCHEMBL13075900 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL27398278 | 0.75 | LMNA (0.30) | — | |
| SCHEMBL24324773 | 0.71 | — | — | |
| SCHEMBL19429578 | 0.70 | — | — | |
| SCHEMBL18649474 | 0.70 | ALDH1A1 (0.32) | — | |
| Acetamide SCHEMBL2554280 | 0.70 | LMNA (0.42) | — | |
| SCHEMBL28680465 | 0.69 | — | — | |
| SCHEMBL22796047 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230142171-A1 | NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | HOFFMANN-LA ROCHE INC. (US) | 2023-05-11 | — | — | US | disclosed |