⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1386969 | 0.92 | — | — | |
| SCHEMBL10760112 | 0.89 | — | — | |
| Cyanamide SCHEMBL15863637 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL5596493 | 0.75 | — | — | |
| Allylamine SCHEMBL15863046 | 0.67 | ALDH1A1 (0.64) | — | |
| SCHEMBL11049831 | 0.67 | — | — | |
| Allyl Alcohol SCHEMBL27518215 | 0.65 | — | — | |
| Cyanamide SCHEMBL17224731 | 0.65 | — | — | |
| SCHEMBL6673340 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL15863638 | 0.65 | ALDH1A1 (0.32) | — |
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-115472911-A | Electrolyte, secondary battery and electric device | 欣旺达电动汽车电池有限公司 | 2022-12-13 | — | — | CN | disclosed |