⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5254496 | 1.00 | — | — | |
| SCHEMBL9970953 | 0.79 | — | — | |
| SCHEMBL6014425 | 0.79 | — | — | |
| SCHEMBL579981 | 0.72 | — | — | |
| SCHEMBL21236440 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6928174 | 0.69 | — | — | |
| Isopropylamine SCHEMBL366379 | 0.68 | — | — | |
| SCHEMBL6827120 | 0.67 | LAP3 (0.35) | — | |
| Isopropylamine SCHEMBL27808752 | 0.65 | — | — | |
| Isopropylamine SCHEMBL354242 | 0.65 | GABRP (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009145716-A1 | NEW PHARMACEUTICAL FORMULATION USEFUL IN GERD THERAPY | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | claimed |
| WO-2009145716-A1 | NEW PHARMACEUTICAL FORMULATION USEFUL IN GERD THERAPY | ASTRAZENECA AB (SE) | 2009-12-03 | — | — | WO | disclosed |