⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL163958 | 0.85 | — | — | |
| SCHEMBL30193793 | 0.85 | — | — | |
| SCHEMBL18982823 | 0.85 | — | — | |
| SCHEMBL10535054 | 0.73 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL9705616 | 0.73 | MEN1 (0.45) | — | |
| SCHEMBL11445122 | 0.73 | ALDH1A1 (0.45) | — | |
| SCHEMBL9746048 | 0.71 | — | — | |
| SCHEMBL7711580 | 0.71 | ALDH1A1 (0.43) | — | |
| Ethane SCHEMBL20528153 | 0.71 | MEN1 (0.44) | — | |
| SCHEMBL10791658 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593426-B1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | HOFFMANN LA ROCHE (CH) | 2014-08-20 | — | — | EP | disclosed |
| US-8765730-B2 | 1-hydroxyimino-3-phenyl-propanes | Hoffmann-La Roche Inc (US) | 2014-07-01 | — | — | US | disclosed |
| 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 |
| US-20120010190-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-12 | — | — | US | disclosed |