⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22787208 | 0.88 | — | — | |
| SCHEMBL14395629 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL21259499 | 0.74 | — | — | |
| SCHEMBL1434250 | 0.71 | — | — | |
| SCHEMBL8297059 | 0.70 | — | — | |
| SCHEMBL20858712 | 0.70 | — | — | |
| SCHEMBL22244981 | 0.69 | — | — | |
| SCHEMBL9775290 | 0.65 | — | — | |
| SCHEMBL16939953 | 0.65 | — | — | |
| SCHEMBL7406983 | 0.63 | PLA2G1B (0.31) | — |
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-0074082-B1 | STABLE ORAL COMPOSITIONS CONTAINING ZINC AND FLUORIDE COMPOUNDS | Richardson-Vicks, Inc. (US) | 1987-10-21 | — | — | EP | disclosed |