⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30725893 | 0.75 | — | — | |
| SCHEMBL29603221 | 0.67 | — | — | |
| SCHEMBL7900786 | 0.64 | GABRA1 (0.33) | — | |
| SCHEMBL462176 | 0.62 | CYP2A6 (0.31) | — | |
| SCHEMBL157942 | 0.61 | — | — | |
| SCHEMBL23774760 | 0.59 | — | — | |
| SCHEMBL30515445 | 0.57 | — | — | |
| SCHEMBL7977492 | 0.56 | NISCH (0.32) | — | |
| SCHEMBL4544193 | 0.56 | MEN1 (0.30) | — | |
| SCHEMBL1608867 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0035228-B1 | TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1985-01-02 | — | — | EP | claimed |