⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28554005 | 0.76 | ALDH1A1 (0.50) | — | |
| Halothane SCHEMBL337605 | 0.72 | — | — | |
| Halothane SCHEMBL25588 | 0.72 | — | — | |
| Halothane SCHEMBL443681 | 0.72 | — | — | |
| Halothane SCHEMBL1612295 | 0.72 | HSD17B10 (1.00) | — | |
| SCHEMBL16872867 | 0.71 | — | — | |
| Halothane SCHEMBL1295253 | 0.69 | — | — | |
| Halothane SCHEMBL5961792 | 0.69 | HSD17B10 (0.92) | — | |
| Halothane SCHEMBL15475924 | 0.67 | — | — | |
| SCHEMBL8066980 | 0.67 | — | — |
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-108101739-B | Method for continuously preparing 3,3, 3-trifluoro-1, 2-propanediol | 西安近代化学研究所 | 2021-04-13 | — | — | CN | disclosed |