⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2322130 | 0.84 | ALDH1A1 (0.40) | — | |
| SCHEMBL18763931 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL4483439 | 0.75 | — | — | |
| SCHEMBL13631666 | 0.75 | — | — | |
| SCHEMBL845011 | 0.74 | — | — | |
| SCHEMBL4494386 | 0.73 | — | — | |
| SCHEMBL3808990 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL4494385 | 0.73 | — | — | |
| SCHEMBL11886523 | 0.73 | — | — | |
| SCHEMBL4494378 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002047222-A | METHOD FOR PRODUCING FLUORINE-CONTAINING ALCOHOL COMPOUND | DAIKIN IND LTD | 2002-02-12 | — | — | JP | disclosed |