⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1826587 | 0.87 | KDM4E (0.33) | — | |
| SCHEMBL5259120 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL5261086 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL3370176 | 0.82 | — | — | |
| SCHEMBL3373140 | 0.72 | — | — | |
| SCHEMBL16569479 | 0.71 | — | — | |
| SCHEMBL3374630 | 0.69 | — | — | |
| SCHEMBL3375790 | 0.68 | CNR2 (0.33) | — | |
| SCHEMBL7274455 | 0.68 | KDM4E (0.32) | — | |
| SCHEMBL4278531 | 0.65 | GBA1 (0.52) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050192279-A1 | Pyridazinones as antagonists of alpha4 integrins | JANSSEN PHARAMACEUTICA, N.V. (BE) | 2005-09-01 | — | — | US | claimed |
| US-20230033021-A1 | TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR | GLAS USA LLC | 2023-02-02 | — | — | US | disclosed |
| CN-104143494-B | There is the plasma processing chamber component that protective layer is formed in situ in plasma exposure face | 朗姆研究公司 | 2018-08-14 | — | — | CN | disclosed |
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-20070219210-A1 | Amidopyrazole Derivative | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-09-20 | — | — | US | disclosed |
| CN-1902191-A | Amidopyrazole derivative | DAIICHI SEIYAKU CO (JP) | 2007-01-24 | — | — | CN | disclosed |
| EP-1698626-A1 | AMIDOPYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-09-06 | — | — | EP | disclosed |
| US-20050192279-A1 | Pyridazinones as antagonists of alpha4 integrins | JANSSEN PHARAMACEUTICA, N.V. (BE) | 2005-09-01 | — | — | US | disclosed |