⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1419427 | 0.84 | ALDH1A1 (0.31) | — | |
| Alcohol SCHEMBL7196241 | 0.81 | ALDH1A1 (0.38) | — | |
| Formaldehyde SCHEMBL28108132 | 0.79 | — | — | |
| Formaldehyde SCHEMBL27975443 | 0.79 | — | — | |
| SCHEMBL14301 | 0.79 | — | — | |
| SCHEMBL9646377 | 0.79 | — | — | |
| SCHEMBL6853675 | 0.77 | — | — | |
| Ether SCHEMBL9814617 | 0.77 | ALDH1A1 (0.37) | — | |
| Methyl Alcohol SCHEMBL27394697 | 0.76 | — | — | |
| SCHEMBL25309793 | 0.75 | — | — |
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-105917514-A | Lithium secondary battery and conductive aid used therefor | 昭和电工株式会社 | 2016-08-31 | — | — | CN | disclosed |