⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1078946 | 0.94 | ALDH1A1 (0.46) | — | |
| SCHEMBL60898 | 0.94 | — | — | |
| Water SCHEMBL27883112 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL29036899 | 0.89 | — | — | |
| SCHEMBL30536046 | 0.89 | — | — | |
| Fluoride SCHEMBL27859493 | 0.89 | — | — | |
| Lithium SCHEMBL10525716 | 0.89 | — | — | |
| Bromide SCHEMBL29217212 | 0.89 | — | — | |
| SCHEMBL7016041 | 0.89 | — | — | |
| SCHEMBL27881073 | 0.89 | — | — |
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-108727340-A | Fluorine-substituted indazole compounds and application thereof | 广东东阳光药业有限公司 | 2018-11-02 | — | — | CN | disclosed |