⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17529621 | 0.79 | PDE10A (0.32) | — | |
| SCHEMBL17529637 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL17529629 | 0.78 | MCHR1 (0.32) | — | |
| SCHEMBL17529617 | 0.78 | — | — | |
| SCHEMBL17529644 | 0.77 | — | — | |
| SCHEMBL28701408 | 0.77 | MCHR1 (0.41) | — | |
| SCHEMBL17529636 | 0.73 | ADORA2A (0.35) | — | |
| SCHEMBL1637668 | 0.73 | PTGS1 (0.39) | — | |
| SCHEMBL17529647 | 0.73 | NQO1 (0.33) | — | |
| SCHEMBL1515232 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2990404-B1 | TETRAZOLINONE COMPOUND AND USE OF SAME | SUMITOMO CHEMICAL CO (JP) | 2020-05-27 | — | — | EP | disclosed |
| US-9867372-B2 | Tetrazolinone compound and use of same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2018-01-16 | — | — | US | disclosed |
| US-20160081339-A1 | TETRAZOLINONE COMPOUND AND USE OF SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-03-24 | — | — | US | disclosed |
| EP-2990404-A1 | TETRAZOLINONE COMPOUND AND USE OF SAME | Sumitomo Chemical Company Limited (JP) | 2016-03-02 | — | — | EP | disclosed |