⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL363045 | 0.88 | SHMT1 (0.32) | — | |
| SCHEMBL363100 | 0.88 | POLB (0.30) | — | |
| SCHEMBL362836 | 0.88 | POLB (0.30) | — | |
| SCHEMBL363413 | 0.88 | POLB (0.30) | — | |
| SCHEMBL363784 | 0.78 | — | — | |
| SCHEMBL363756 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL365048 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL364096 | 0.78 | CYP3A4 (0.35) | — | |
| SCHEMBL364151 | 0.78 | CYP3A4 (0.35) | — | |
| SCHEMBL363109 | 0.77 | CASR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |