⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL457384 | 0.84 | — | — | |
| Flurothyl SCHEMBL22529162 | 0.76 | CA1 (0.31) | — | |
| SCHEMBL128362 | 0.73 | — | — | |
| SCHEMBL20576273 | 0.73 | HTT (0.30) | — | |
| Ether SCHEMBL8674343 | 0.73 | — | — | |
| SCHEMBL25717535 | 0.72 | THRB (0.61) | — | |
| Desflurane SCHEMBL23212096 | 0.71 | MEN1 (0.37) | — | |
| SCHEMBL359861 | 0.71 | — | — | |
| SCHEMBL27772511 | 0.70 | MEN1 (0.32) | — | |
| SCHEMBL25238270 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112142575-B | Preparation method of desflurane | 鲁南制药集团股份有限公司 | 2023-02-17 | — | — | CN | disclosed |
| CN-112142575-A | Preparation method of desflurane | 鲁南制药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |