⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10703583 | 0.80 | PPARA (0.39) | — | |
| SCHEMBL18253 | 0.80 | GAA (0.42) | — | |
| SCHEMBL28456914 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL8487878 | 0.76 | DGAT1 (0.44) | — | |
| SCHEMBL11453119 | 0.76 | DGAT1 (0.34) | — | |
| SCHEMBL79871 | 0.75 | — | — | |
| SCHEMBL2086452 | 0.75 | DGAT1 (0.31) | — | |
| SCHEMBL6312664 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL2846845 | 0.73 | — | — | |
| SCHEMBL8119240 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021023645-A1 | CLEAVABLE MULTI-ALCOHOL-BASED MICROCAPSULES | FIRMENICH SA (CH) | 2021-02-11 | — | — | WO | disclosed |