⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28776397 | 0.78 | TUBB4A (0.40) | — | |
| SCHEMBL1278335 | 0.77 | OGG1 (0.34) | — | |
| SCHEMBL28772957 | 0.73 | CYP11B1 (0.35) | — | |
| SCHEMBL1156091 | 0.70 | ELAVL1 (0.38) | — | |
| SCHEMBL1156292 | 0.70 | ACLY (0.40) | — | |
| SCHEMBL1156775 | 0.69 | KDM4E (0.34) | — | |
| SCHEMBL1156187 | 0.66 | KDM4E (0.51) | — | |
| SCHEMBL1156533 | 0.66 | RAPGEF4 (0.42) | — | |
| SCHEMBL1157055 | 0.66 | ALDH1A1 (0.45) | — | |
| SCHEMBL1156702 | 0.66 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101300229-B | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL | 2011-10-05 | — | — | CN | disclosed |
| CN-101300229-A | 1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors | TAKEDA PHARMACEUTICAL (JP) | 2008-11-05 | — | — | CN | disclosed |