⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21149663 | 0.75 | — | — | |
| SCHEMBL24894159 | 0.75 | — | — | |
| SCHEMBL20375686 | 0.73 | — | — | |
| SCHEMBL20419210 | 0.70 | — | — | |
| SCHEMBL24208418 | 0.70 | — | — | |
| SCHEMBL22008737 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL19993626 | 0.69 | — | — | |
| SCHEMBL21914661 | 0.68 | — | — | |
| SCHEMBL21026827 | 0.65 | — | — | |
| SCHEMBL23617198 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11084773-B1 | Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and their use for the prevention or treatment of disease | ESPERVITA THERAPEUTICS, INC. (US) | 2021-08-10 | — | — | US | disclosed |