⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20035948 | 0.79 | TTL (0.32) | — | |
| SCHEMBL24827511 | 0.76 | — | — | |
| SCHEMBL17305097 | 0.73 | PLA2G2A (0.33) | — | |
| SCHEMBL26472020 | 0.71 | ALDH1A1 (0.55) | — | |
| Marrulactone SCHEMBL30355026 | 0.62 | AKR1C3 (0.30) | — | |
| SCHEMBL4460072 | 0.54 | ALDH1A1 (0.61) | — | |
| Water SCHEMBL8832205 | 0.53 | — | — | |
| SCHEMBL16659520 | 0.52 | — | — | |
| SCHEMBL25785463 | 0.48 | — | — | |
| SCHEMBL14403629 | 0.46 | — | — |
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-2954037-B1 | REDUCED SODIUM FOOD PRODUCTS | GEN MILLS INC (US) | 2018-04-11 | — | — | EP | disclosed |