⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4613395 | 0.71 | — | — | |
| SCHEMBL18039633 | 0.67 | — | — | |
| SCHEMBL4947249 | 0.65 | — | — | |
| SCHEMBL977267 | 0.63 | — | — | |
| SCHEMBL19742932 | 0.60 | — | — | |
| SCHEMBL1191240 | 0.60 | — | — | |
| SCHEMBL6973621 | 0.60 | — | — | |
| SCHEMBL3019277 | 0.60 | — | — | |
| SCHEMBL7818882 | 0.60 | — | — | |
| SCHEMBL1191368 | 0.55 | — | — |
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-10308605-B2 | Proton pump inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-06-04 | — | — | US | disclosed |
| US-20140343070-A1 | PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-11-20 | — | — | US | disclosed |
| US-8048909-B2 | Proton pump inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-01 | — | — | US | disclosed |
| US-20110028476-A1 | PROTON PUMP INHIBITORS | KAJINO MASAHIRO | 2011-02-03 | — | — | US | disclosed |
| US-20080139639-A1 | 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-06-12 | — | — | US | disclosed |