⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13360703 | 0.78 | — | — | |
| SCHEMBL14021953 | 0.70 | KDM4E (0.34) | — | |
| SCHEMBL31332927 | 0.70 | HDAC6 (0.30) | — | |
| SCHEMBL27252215 | 0.67 | PTGS2 (0.44) | — | |
| SCHEMBL3587491 | 0.67 | GAA (0.39) | — | |
| SCHEMBL6631894 | 0.67 | — | — | |
| SCHEMBL6629312 | 0.67 | — | — | |
| SCHEMBL254474 | 0.66 | — | — | |
| SCHEMBL15374080 | 0.65 | HPGD (0.31) | — | |
| SCHEMBL1288089 | 0.64 | KDM4E (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0974602-B1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR CORP (JP) | 2004-01-02 | — | — | EP | disclosed |
| US-6291596-B1 | CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT | JSR CORPORATION (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-0974602-A1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR Corporation (JP) | 2000-01-26 | — | — | EP | disclosed |