⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28776398 | 0.87 | KMT2A (0.37) | — | |
| SCHEMBL27723322 | 0.85 | DYRK3 (0.34) | — | |
| SCHEMBL27723399 | 0.84 | KDM5A (0.34) | — | |
| SCHEMBL27723227 | 0.83 | GLO1 (0.36) | — | |
| SCHEMBL27744043 | 0.81 | USP8 (0.30) | — | |
| SCHEMBL28772958 | 0.79 | CYP11B1 (0.31) | — | |
| SCHEMBL1156775 | 0.78 | KDM4E (0.34) | — | |
| SCHEMBL27723229 | 0.74 | KDM5A (0.34) | — | |
| SCHEMBL27723398 | 0.74 | KDM5A (0.34) | — | |
| SCHEMBL27723217 | 0.73 | NFE2L2 (0.35) | — |
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 |