⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8159545 | 1.00 | — | — | |
| SCHEMBL8146394 | 1.00 | — | — | |
| SCHEMBL2861882 | 0.97 | — | — | |
| SCHEMBL26134391 | 0.88 | — | — | |
| SCHEMBL15409368 | 0.88 | — | — | |
| SCHEMBL15410716 | 0.88 | — | — | |
| SCHEMBL8210079 | 0.84 | — | — | |
| SCHEMBL17176854 | 0.76 | — | — | |
| Tetrahydrofuran SCHEMBL2395494 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL20220720 | 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 |
|---|---|---|---|---|---|---|---|
| EP-0982281-A1 | FLUORINATED, SATURATED HYDROCARBONS | JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2000-03-01 | — | — | EP | disclosed |