⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28538714 | 0.86 | — | — | |
| SCHEMBL29019371 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL23387070 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL28548314 | 0.82 | — | — | |
| SCHEMBL28554347 | 0.79 | KDM4E (0.36) | — | |
| SCHEMBL28550818 | 0.78 | — | — | |
| SCHEMBL21626188 | 0.71 | — | — | |
| SCHEMBL23387054 | 0.71 | — | — | |
| SCHEMBL29019364 | 0.70 | — | — | |
| Bromide SCHEMBL28548817 | 0.70 | TRAP1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112638868-A | Fatty acid derivatives labelled with positron-emitting radionuclides | 安斯泰来制药株式会社 | 2021-04-09 | — | — | CN | disclosed |