⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18567263 | 0.68 | ADH1B (0.32) | — | |
| SCHEMBL9803718 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL18871435 | 0.62 | ALDH1A1 (0.43) | — | |
| SCHEMBL18870901 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL12316745 | 0.61 | ALDH1A1 (0.55) | — | |
| SCHEMBL11109819 | 0.60 | ALDH1A1 (0.60) | — | |
| SCHEMBL13640138 | 0.59 | KMT2A (0.49) | — | |
| SCHEMBL12830161 | 0.59 | ALDH1A1 (0.43) | — | |
| SCHEMBL22057731 | 0.59 | ALDH1A1 (0.49) | — | |
| SCHEMBL13640144 | 0.58 | ALDH1A1 (0.42) | — |
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-2477491-B1 | PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2017-05-17 | — | — | EP | disclosed |