⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL465325 | 0.93 | — | — | |
| Propanol SCHEMBL3517326 | 0.90 | — | — | |
| Propylamine SCHEMBL11591302 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL4941433 | 0.89 | — | — | |
| SCHEMBL16933 | 0.89 | — | — | |
| SCHEMBL17028873 | 0.89 | TSHR (0.58) | — | |
| SCHEMBL11047830 | 0.85 | — | — | |
| SCHEMBL11561593 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL8368397 | 0.85 | — | — | |
| Water SCHEMBL10698036 | 0.85 | — | — |
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-109563680-B | Oil for carbon fiber precursor and carbon fiber precursor | 竹本油脂株式会社 | 2020-09-11 | — | — | CN | disclosed |