⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15949082 | 1.00 | — | — | |
| SCHEMBL362569 | 0.89 | RORA (0.32) | — | |
| SCHEMBL363962 | 0.85 | — | — | |
| SCHEMBL364581 | 0.85 | — | — | |
| SCHEMBL363954 | 0.85 | HDAC6 (0.32) | — | |
| SCHEMBL363251 | 0.85 | KCNH2 (0.33) | — | |
| SCHEMBL370939 | 0.85 | KCNH2 (0.33) | — | |
| SCHEMBL363791 | 0.81 | AHR (0.37) | — | |
| SCHEMBL363561 | 0.81 | AHR (0.37) | — | |
| SCHEMBL362479 | 0.81 | HDAC3 (0.30) | — |
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 |