⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3396142 | 0.74 | — | — | |
| SCHEMBL3401201 | 0.72 | — | — | |
| SCHEMBL868739 | 0.72 | — | — | |
| Iodide SCHEMBL8931033 | 0.70 | — | — | |
| SCHEMBL5865955 | 0.69 | — | — | |
| SCHEMBL28614642 | 0.69 | — | — | |
| Carbamic Acid SCHEMBL16013789 | 0.69 | NPC1 (0.42) | — | |
| SCHEMBL14375998 | 0.69 | — | — | |
| SCHEMBL943376 | 0.69 | — | — | |
| SCHEMBL29256141 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5583227-A | INHIBIT SECRETION OF GASTRIC ACID | MOCHIDA PHARMACEUTICAL CO. LTD. (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0685468-A1 | Pyrazine and quinoxaline derivatives and their use as anti-ulcer agents | Mochida Pharmaceutical Co., Ltd. (JP) | 1995-12-06 | — | — | EP | disclosed |