⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17216948 | 1.00 | — | — | |
| SCHEMBL17216460 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL17216461 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL17218126 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL17219143 | 0.86 | PIK3CG (0.33) | — | |
| SCHEMBL17217530 | 0.86 | NPC1 (0.39) | — | |
| SCHEMBL17219145 | 0.86 | PIK3CG (0.33) | — | |
| SCHEMBL17217515 | 0.86 | PIK3CG (0.34) | — | |
| SCHEMBL17217533 | 0.86 | NPC1 (0.39) | — | |
| SCHEMBL17218124 | 0.86 | ALDH1A1 (0.35) | — |
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-2940012-B1 | TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF | SUMITOMO CHEMICAL CO (JP) | 2019-01-30 | — | — | EP | disclosed |
| US-9560850-B2 | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-02-07 | — | — | US | disclosed |
| US-20150336908-A1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-11-26 | — | — | US | disclosed |
| EP-2940012-A1 | TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF | Sumitomo Chemical Company Limited (JP) | 2015-11-04 | — | — | EP | disclosed |