⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28984742 | 0.95 | — | — | |
| SCHEMBL148914 | 0.94 | — | — | |
| SCHEMBL29131062 | 0.89 | — | — | |
| SCHEMBL28662436 | 0.89 | — | — | |
| Methyl Alcohol SCHEMBL28712278 | 0.84 | — | — | |
| SCHEMBL12154107 | 0.80 | — | — | |
| SCHEMBL11319167 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL9723500 | 0.80 | ALDH1A1 (0.33) | — | |
| 1,4-Butanediol SCHEMBL10668407 | 0.77 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL8674940 | 0.74 | — | — |
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-220345281-U | 1,4 butynediol purification decoppering device | 科海思（北京）科技有限公司 | 2024-01-16 | — | — | CN | disclosed |