⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL363962 | 0.89 | — | — | |
| SCHEMBL364581 | 0.89 | — | — | |
| SCHEMBL363295 | 0.88 | — | — | |
| SCHEMBL364473 | 0.87 | TRPA1 (0.34) | — | |
| SCHEMBL363808 | 0.83 | — | — | |
| SCHEMBL362349 | 0.81 | TTR (0.31) | — | |
| SCHEMBL363584 | 0.81 | ALOX15 (0.33) | — | |
| SCHEMBL363643 | 0.81 | MAPT (0.39) | — | |
| SCHEMBL363425 | 0.80 | KCNH2 (0.32) | — | |
| SCHEMBL365144 | 0.80 | KCNH2 (0.32) | — |
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 4 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 | claimed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | claimed |
| 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 |