⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL9388248 | 1.00 | — | — | |
| SCHEMBL362 | 0.96 | — | — | |
| Methane SCHEMBL28231703 | 0.92 | — | — | |
| Potassium SCHEMBL10628380 | 0.92 | — | — | |
| SCHEMBL27985334 | 0.92 | — | — | |
| SCHEMBL10790464 | 0.92 | — | — | |
| Butadiene SCHEMBL11669047 | 0.88 | — | — | |
| Benzene SCHEMBL27433682 | 0.85 | FBP1 (0.40) | — | |
| Methylamine SCHEMBL27615161 | 0.85 | — | — | |
| Dimethylamine SCHEMBL4406313 | 0.82 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108727312-A | The new indication of ranitidine oral preparation for treating erosive esophagitis | 金华乾升医药信息咨询合伙企业（有限合伙） | 2018-11-02 | — | — | CN | disclosed |