⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2585042 | 1.00 | — | — | |
| SCHEMBL6761069 | 1.00 | — | — | |
| SCHEMBL7733689 | 1.00 | — | — | |
| Phosphoric Acid SCHEMBL5963405 | 0.85 | PGK1 (0.32) | — | |
| SCHEMBL334088 | 0.74 | — | — | |
| SCHEMBL13934125 | 0.74 | — | — | |
| SCHEMBL2330428 | 0.74 | — | — | |
| SCHEMBL334087 | 0.74 | — | — | |
| SCHEMBL2603319 | 0.74 | — | — | |
| SCHEMBL21983521 | 0.72 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105408322-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2019-04-19 | — | — | CN | disclosed |
| CN-105683169-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2018-11-06 | — | — | CN | disclosed |
| CN-105339359-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2018-02-16 | — | — | CN | disclosed |
| CN-104271571-B | Tetrazolinone compound and use thereof | 住友化学株式会社 | 2017-07-07 | — | — | CN | disclosed |
| CN-106662369-A | Use of 1,1,2,2-tetrafluoroethane in high temperature heat pumps | 科慕埃弗西有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-104822666-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2016-09-21 | — | — | CN | disclosed |
| CN-105636957-A | Tetrazolinone compound and application for same | SUMITOMO CHEMICAL CO | 2016-06-01 | — | — | CN | disclosed |
| CN-105408322-A | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL CO | 2016-03-16 | — | — | CN | disclosed |
| CN-105339359-A | Tetrazolinone compound and use of same | SUMITOMO CHEMICAL CO | 2016-02-17 | — | — | CN | disclosed |
| CN-104822666-A | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL CO | 2015-08-05 | — | — | CN | disclosed |
| CN-104271571-A | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL CO | 2015-01-07 | — | — | CN | disclosed |
| EP-2054363-B1 | ASYMMETRIC HYDROGENATION OF 1,1,1-TRIFLUOROACETONE | HOFFMANN LA ROCHE (CH) | 2013-04-17 | — | — | EP | disclosed |
| US-8049046-B2 | Refrigerant additive compositions containing perfluoropolyethers | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-11-01 | — | — | US | disclosed |
| US-6407041-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-18 | — | — | US | disclosed |
| EP-1049680-A1 | SUBSTITUTED AMINOALKYLIDENAMINO TRIAZINES AS HERBICIDES | Bayer Aktiengesellschaft (DE) | 2000-11-08 | — | — | EP | disclosed |
| EP-1037882-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AG (DE) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999037627-A1 | SUBSTITUTED AMINOALKYLIDENAMINO TRIAZINES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | disclosed |
| WO-1999029677-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-17 | — | — | WO | disclosed |
| WO-1999019309-A1 | SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-04-22 | — | — | WO | disclosed |