⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10075700 | 0.74 | — | — | |
| SCHEMBL7343677 | 0.70 | — | — | |
| SCHEMBL19565594 | 0.69 | — | — | |
| SCHEMBL8862956 | 0.64 | KCNH2 (0.38) | — | |
| SCHEMBL7458792 | 0.63 | — | — | |
| SCHEMBL28412211 | 0.57 | — | — | |
| Benzene SCHEMBL28457184 | 0.54 | — | — | |
| Cyclohexane SCHEMBL28204723 | 0.54 | — | — | |
| SCHEMBL13774515 | 0.53 | — | — | |
| SCHEMBL14446296 | 0.53 | — | — |
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-109705681-A | A kind of new-energy automobile environment-friendly water-based paint and preparation method thereof | 杨记周 | 2019-05-03 | — | — | CN | claimed |