⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11813177 | 0.83 | HMGCR (0.33) | — | |
| SCHEMBL31650287 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL11436943 | 0.81 | — | — | |
| SCHEMBL4520954 | 0.79 | — | — | |
| SCHEMBL4524995 | 0.79 | TDP1 (0.38) | — | |
| SCHEMBL31650672 | 0.78 | PTPN7 (0.45) | — | |
| SCHEMBL9547913 | 0.78 | — | — | |
| SCHEMBL11814246 | 0.77 | PTPN7 (0.48) | — | |
| SCHEMBL28435854 | 0.76 | — | — | |
| SCHEMBL599288 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0560532-B1 | Preparation of cis-olefins | NISSAN CHEMICAL IND LTD (JP) | 1999-08-04 | — | — | EP | disclosed |
| EP-0560532-A1 | Preparation of cis-olefins | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1993-09-15 | — | — | EP | disclosed |