⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17600112 | 0.86 | ADORA2A (0.31) | — | |
| SCHEMBL17600024 | 0.79 | — | — | |
| SCHEMBL17600177 | 0.77 | — | — | |
| SCHEMBL17600040 | 0.76 | — | — | |
| SCHEMBL17600252 | 0.75 | — | — | |
| SCHEMBL16446016 | 0.72 | — | — | |
| SCHEMBL17600284 | 0.70 | — | — | |
| SCHEMBL16911311 | 0.69 | — | — | |
| SCHEMBL17600051 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL16963693 | 0.67 | TSHR (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3006440-B1 | TETRAZOLINONE COMPOUND AND APPLICATION OF SAME | SUMITOMO CHEMICAL CO (JP) | 2018-03-21 | — | — | EP | disclosed |
| US-9675072-B2 | Tetrazolinone compound and application of same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-06-13 | — | — | US | disclosed |
| EP-3006440-A1 | TETRAZOLINONE COMPOUND AND APPLICATION OF SAME | Sumitomo Chemical Company Limited (JP) | 2016-04-13 | — | — | EP | disclosed |
| US-20160081340-A1 | TETRAZOLINONE COMPOUND AND APPLICATION OF SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-03-24 | — | — | US | disclosed |
| CN-105263921-A | Tetrazolinone compound and application of same | SUMITOMO CHEMICAL CO | 2016-01-20 | — | — | CN | disclosed |