⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30022 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL538105 | 0.95 | — | — | |
| SCHEMBL2537707 | 0.70 | — | — | |
| SCHEMBL11316193 | 0.70 | — | — | |
| SCHEMBL27394960 | 0.68 | — | — | |
| SCHEMBL8968822 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL1756594 | 0.67 | — | — | |
| SCHEMBL6136088 | 0.64 | — | — | |
| Formaldehyde SCHEMBL27472615 | 0.64 | — | — | |
| SCHEMBL28130894 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102448953-B | Pyrazole compound | TAKEDA PHARMACEUTICAL | 2014-05-07 | — | — | CN | disclosed |
| CN-102448953-A | Pyrazole compounds | TAKEDA PHARMACEUTICAL | 2012-05-09 | — | — | CN | disclosed |
| 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 |