⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28256989 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL28287522 | 0.92 | — | — | |
| SCHEMBL22548 | 0.92 | — | — | |
| SCHEMBL27823328 | 0.92 | — | — | |
| Alcohol SCHEMBL28210902 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL28212460 | 0.90 | — | — | |
| SCHEMBL28436490 | 0.90 | — | — | |
| SCHEMBL22289280 | 0.90 | — | — | |
| Ethylene SCHEMBL9421815 | 0.89 | — | — | |
| SCHEMBL7583255 | 0.89 | — | — |
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-108139525-A | Optical phase difference member and projector | JXTG能源株式会社 | 2018-06-08 | — | — | CN | disclosed |