⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18461260 | 0.76 | — | — | |
| SCHEMBL30763674 | 0.74 | — | — | |
| SCHEMBL20246941 | 0.74 | ADRA1A (0.31) | — | |
| SCHEMBL257378 | 0.70 | — | — | |
| SCHEMBL4354707 | 0.69 | — | — | |
| SCHEMBL24593004 | 0.69 | — | — | |
| SCHEMBL18036076 | 0.64 | — | — | |
| SCHEMBL2538117 | 0.63 | — | — | |
| SCHEMBL2538119 | 0.63 | — | — | |
| SCHEMBL1714435 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6686509-B2 | Process for producing α, α-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2004-02-03 | — | — | US | disclosed |
| US-20030078460-A1 | Process for producing alpha, alpha-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2003-04-24 | — | — | US | disclosed |