⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26632829 | 0.92 | SPHK1 (0.46) | — | |
| SCHEMBL28339798 | 0.90 | SPHK1 (0.50) | — | |
| SCHEMBL6466390 | 0.90 | SPHK1 (0.50) | — | |
| SCHEMBL8836714 | 0.90 | SPHK1 (0.50) | — | |
| SCHEMBL10617834 | 0.90 | SPHK1 (0.50) | — | |
| SCHEMBL4058856 | 0.86 | — | — | |
| SCHEMBL736817 | 0.86 | ALDH1A1 (0.42) | — | |
| SCHEMBL4524989 | 0.82 | — | — | |
| SCHEMBL2535364 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL4518452 | 0.80 | SMN1; SMN2 (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 8 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-1648906-B1 | ORGANOSILICON COMPOUNDS AND THEIR USE | TAKEDA CAMBRIDGE LTD (GB) | 2007-10-03 | — | — | EP | disclosed |
| EP-1648906-B1 | ORGANOSILICON COMPOUNDS AND THEIR USE | TAKEDA CAMBRIDGE LTD (GB) | 2007-10-03 | — | — | EP | disclosed |
| US-20070111967-A1 | Organosilicon compounds and their use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-05-17 | — | — | US | disclosed |
| US-20070111967-A1 | Organosilicon compounds and their use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-05-17 | — | — | US | disclosed |
| EP-1648906-A1 | ORGANOSILICON COMPOUNDS AND THEIR USE | Paradigm Therapeutics Limited (GB) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005005443-A1 | ORGANOSILICON COMPOUNDS AND THEIR USE | PARADIGM THERAPEUTICS LTD. (GB) | 2005-01-20 | — | — | WO | disclosed |