⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3032691 | 0.93 | EPHX2 (0.35) | — | |
| SCHEMBL6007625 | 0.91 | EPHX2 (0.37) | — | |
| SCHEMBL731149 | 0.86 | — | — | |
| SCHEMBL3027599 | 0.84 | TSHR (0.34) | — | |
| SCHEMBL5262403 | 0.84 | TSHR (0.43) | — | |
| SCHEMBL9574475 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL3135663 | 0.81 | HTT (0.45) | — | |
| SCHEMBL8957782 | 0.81 | HTT (0.45) | — | |
| SCHEMBL8361116 | 0.81 | HTT (0.45) | — | |
| SCHEMBL3015883 | 0.78 | TSHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070049620-A1 | Cyclic tertiary amine compound | SANKYO COMPANY, LIMITED (JP) | 2007-03-01 | — | — | US | disclosed |
| EP-1632488-A1 | CYCLIC TERTIARY AMINE COMPOUND | Sankyo Company, Limited (JP) | 2006-03-08 | — | — | EP | disclosed |
| US-5098900-A | Reducing contractions in smooth muscles | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-03-24 | — | — | US | disclosed |
| EP-0186817-B1 | 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1989-08-02 | — | — | EP | disclosed |
| EP-0186817-A1 | 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1986-07-09 | — | — | EP | disclosed |