⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3806863 | 0.89 | FFAR4 (0.30) | — | |
| SCHEMBL4119012 | 0.83 | LIPG (0.32) | — | |
| SCHEMBL3804241 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL4119019 | 0.82 | LIPG (0.33) | — | |
| SCHEMBL3806166 | 0.80 | AGTR2 (0.31) | — | |
| SCHEMBL3804237 | 0.80 | DYRK1A (0.33) | — | |
| SCHEMBL3654926 | 0.79 | HTR2C (0.34) | — | |
| SCHEMBL3803076 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL3654923 | 0.73 | LIPG (0.32) | — | |
| SCHEMBL3651836 | 0.72 | CYP2A6 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2190822-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009041705-A2 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-02 | — | — | WO | disclosed |