⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3764804 | 0.70 | GABRA1 (0.33) | — | |
| SCHEMBL9323927 | 0.70 | GABRA1 (0.40) | — | |
| SCHEMBL1667321 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL28446401 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL27517636 | 0.66 | KDM4E (0.31) | — | |
| Water SCHEMBL19305901 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL8363928 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL1133136 | 0.62 | GABRA1 (0.34) | — | |
| SCHEMBL1396175 | 0.62 | GABRA1 (0.32) | — | |
| Carbimide SCHEMBL29029736 | 0.62 | CYP1B1 (0.30) | — |
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-104010814-B | The coatings system being used together with fuel tank | 亨斯迈国际有限责任公司 | 2016-08-17 | — | — | CN | disclosed |