⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14769039 | 0.65 | — | — | |
| SCHEMBL13487005 | 0.59 | — | — | |
| SCHEMBL15250868 | 0.59 | — | — | |
| SCHEMBL15195582 | 0.58 | — | — | |
| SCHEMBL17347721 | 0.57 | — | — | |
| SCHEMBL15214380 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL9131307 | 0.57 | — | — | |
| SCHEMBL18464861 | 0.56 | CYP1A2 (0.30) | — | |
| SCHEMBL2018808 | 0.55 | — | — | |
| SCHEMBL17861127 | 0.55 | — | — |
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-2007099162-A2 | HYDROXYLATED LONG-CHAIN RESVERATROL DERIVATIVES USEFUL AS NEUROTROPHIC AGENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2007-09-07 | — | — | WO | disclosed |