⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4526359 | 0.97 | LMNA (0.36) | — | |
| 1,4-Butanediol SCHEMBL29204131 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL4528983 | 0.90 | — | — | |
| SCHEMBL9146192 | 0.90 | RAB9A (0.36) | — | |
| SCHEMBL10945268 | 0.90 | ALDH1A1 (0.41) | — | |
| SCHEMBL7033691 | 0.87 | ALDH1A1 (0.42) | — | |
| SCHEMBL11674706 | 0.87 | ALDH1A1 (0.42) | — | |
| SCHEMBL20597518 | 0.87 | ALDH1A1 (0.42) | — | |
| SCHEMBL8029318 | 0.87 | ALDH1A1 (0.42) | — | |
| 1,4-Butanediol SCHEMBL10668407 | 0.87 | SMN1; SMN2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7619125-B2 | Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 2009-11-17 | — | — | US | disclosed |
| US-20080033221-A1 | Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound | NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) | 2008-02-07 | — | — | US | disclosed |