⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9720619 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL11145544 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL9720623 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL13089248 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL51376 | 0.73 | — | — | |
| SCHEMBL1578778 | 0.73 | — | — | |
| SCHEMBL20439971 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL8295 | 0.71 | — | — | |
| SCHEMBL6950834 | 0.71 | ALDH1A1 (0.56) | — | |
| SCHEMBL7862984 | 0.71 | — | — |
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-2411365-B1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-03-19 | — | — | EP | disclosed |