⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19584979 | 0.86 | — | — | |
| SCHEMBL5257658 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28852281 | 0.82 | — | — | |
| SCHEMBL21175388 | 0.82 | — | — | |
| SCHEMBL28770965 | 0.80 | — | — | |
| SCHEMBL28740175 | 0.73 | — | — | |
| SCHEMBL420031 | 0.73 | — | — | |
| SCHEMBL420034 | 0.71 | — | — | |
| SCHEMBL15741540 | 0.69 | — | — | |
| SCHEMBL3641627 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116615414-A | Substituted 6, 7-dihydro-5H-benzo [7] rotaline compounds and derivatives thereof, method for the production and therapeutic use thereof | 赛诺菲 | 2023-08-18 | — | — | CN | disclosed |