⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27744282 | 0.89 | NFE2L2 (0.33) | — | |
| SCHEMBL27723227 | 0.86 | GLO1 (0.36) | — | |
| SCHEMBL28944101 | 0.86 | KCNA5 (0.33) | — | |
| SCHEMBL27723267 | 0.86 | SLC22A12 (0.36) | — | |
| Hydrochloric Acid SCHEMBL27864967 | 0.85 | KCNA5 (0.33) | — | |
| SCHEMBL1278422 | 0.78 | HDAC1 (0.37) | — | |
| SCHEMBL27743980 | 0.76 | LMNA (0.38) | — | |
| SCHEMBL27744043 | 0.76 | USP8 (0.30) | — | |
| SCHEMBL27723217 | 0.74 | NFE2L2 (0.35) | — | |
| SCHEMBL27723332 | 0.73 | CYP2D6 (0.34) | — |
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 |