⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6430277 | 0.84 | ALDH1A1 (0.47) | — | |
| SCHEMBL18431012 | 0.84 | ALDH1A1 (0.47) | — | |
| SCHEMBL16712830 | 0.77 | — | — | |
| SCHEMBL19155006 | 0.75 | — | — | |
| SCHEMBL2668161 | 0.74 | — | — | |
| SCHEMBL18945725 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL20148900 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL14583185 | 0.73 | — | — | |
| SCHEMBL19818380 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL12607756 | 0.72 | — | — |
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-20190023699-A1 | HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME | EA PHARMA CO., LTD. (JP) | 2019-01-24 | — | — | US | disclosed |
| EP-2327692-B1 | 1-heterocyclylsulfonyl, 2-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2012-07-18 | — | — | EP | disclosed |
| WO-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |
| EP-1974914-A2 | Lithographic printing plate precursor and method of preparing lithographic printing plate | FUJIFILM Corporation (JP) | 2008-10-01 | — | — | EP | disclosed |
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |