⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27899869 | 0.83 | — | — | |
| SCHEMBL322324 | 0.81 | — | — | |
| SCHEMBL18185932 | 0.79 | — | — | |
| SCHEMBL2049786 | 0.79 | — | — | |
| SCHEMBL17641732 | 0.75 | — | — | |
| SCHEMBL19550757 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL19550965 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL19551049 | 0.74 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL19550996 | 0.73 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL19551017 | 0.73 | ALDH1A1 (0.38) | — |
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 |