⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9410201 | 0.74 | — | — | |
| SCHEMBL775925 | 0.74 | — | — | |
| SCHEMBL775926 | 0.70 | — | — | |
| SCHEMBL9344350 | 0.70 | — | — | |
| SCHEMBL14606032 | 0.67 | — | — | |
| SCHEMBL9410116 | 0.64 | — | — | |
| SCHEMBL9055872 | 0.60 | — | — | |
| SCHEMBL9444997 | 0.58 | — | — | |
| SCHEMBL4732789 | 0.58 | — | — | |
| SCHEMBL28000264 | 0.58 | — | — |
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-0600147-A1 | Tetralones with pharmacological activity, compositions containing them and process for their preparation | J. URIACH & CIA. S.A. (ES) | 1994-06-08 | — | — | EP | disclosed |