⚠ 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 | |
|---|---|---|---|---|
| Apaflurane SCHEMBL19860 | 0.91 | ALDH1A1 (0.33) | — | |
| Apaflurane SCHEMBL27772978 | 0.86 | ALDH1A1 (0.31) | — | |
| Apaflurane SCHEMBL7649343 | 0.86 | ALDH1A1 (0.31) | — | |
| Apaflurane SCHEMBL5545395 | 0.82 | — | — | |
| Apaflurane SCHEMBL28066334 | 0.75 | MEN1 (0.32) | — | |
| Apaflurane SCHEMBL9159453 | 0.75 | — | — | |
| Perflutren SCHEMBL9417226 | 0.75 | LMNA (0.30) | — | |
| SCHEMBL17158623 | 0.73 | — | — | |
| SCHEMBL1274333 | 0.73 | — | — | |
| Apaflurane SCHEMBL2768572 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6407297-B1 | Preparation of fluorine-containing organic compounds | INEOS FLUOR HOLDINGS LIMITED (GB) | 2002-06-18 | — | — | US | disclosed |