⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11147390 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL4391505 | 0.64 | EPHX1 (0.40) | — | |
| SCHEMBL20959761 | 0.64 | EPHX1 (0.32) | — | |
| SCHEMBL24939476 | 0.64 | — | — | |
| SCHEMBL324472 | 0.61 | EPHX1 (0.37) | — | |
| SCHEMBL6178352 | 0.60 | CA1 (0.32) | — | |
| SCHEMBL24939652 | 0.60 | — | — | |
| SCHEMBL18965022 | 0.60 | ALDH1A1 (0.35) | — | |
| SCHEMBL16372079 | 0.58 | ADH1A (0.31) | — | |
| SCHEMBL8737373 | 0.58 | ADH1A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023002341-A1 | HYDROFLUOROOLEFINS AND USES THEREOF | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2023-01-26 | — | — | WO | disclosed |