⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13951223 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL13063905 | 0.84 | — | — | |
| SCHEMBL14490194 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL29958923 | 0.79 | — | — | |
| SCHEMBL31405425 | 0.79 | — | — | |
| SCHEMBL25763823 | 0.79 | — | — | |
| SCHEMBL152116 | 0.79 | — | — | |
| SCHEMBL25763824 | 0.79 | — | — | |
| SCHEMBL22893330 | 0.79 | — | — | |
| SCHEMBL669012 | 0.77 | — | — |
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-113735749-A | Preparation method of binary primary alcohol for bio-based polyurethane with adjustable molecular weight | 四川大学 | 2021-12-03 | — | — | CN | claimed |