⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6617108 | 0.77 | — | — | |
| SCHEMBL6619972 | 0.74 | — | — | |
| SCHEMBL6620389 | 0.71 | — | — | |
| SCHEMBL6618228 | 0.68 | MAPT (0.37) | — | |
| SCHEMBL8879824 | 0.68 | GLA (0.37) | — | |
| SCHEMBL8879049 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL6619069 | 0.67 | — | — | |
| SCHEMBL13362319 | 0.62 | — | — | |
| SCHEMBL9489931 | 0.59 | — | — | |
| SCHEMBL8786920 | 0.58 | TDP1 (0.41) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805804-B1 | SULPHONYL AMINO(THIO)CARBONYL-1,2,4-TRIAZOLIN(THI)ONE DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES | BAYER CROPSCIENCE AG (DE) | 2004-09-29 | — | — | EP | disclosed |
| US-5972844-A | Sulphonyl amino (thio) carbonyl-1,2,4-triazolin (thi) one derivatives and the use thereof as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-26 | — | — | US | disclosed |
| EP-0805804-A1 | SULPHONYL AMINO(THIO)CARBONYL-1,2,4-TRIAZOLIN(THI)ONE DERIVATIVES, THE PRODUCTION THEREOF AND THE USE THEREOF AS HERBICIDES | BAYER AG (DE) | 1997-11-12 | — | — | EP | disclosed |
| US-5399704-A | Herbicidal substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones | BAYER AKTIENGESELLSCHAFT (DE) | 1995-03-21 | — | — | US | disclosed |
| US-5276008-A | Herbicides and plant growth regulators | BAYER AKTIENGESELLSCHAFT (DE) | 1994-01-04 | — | — | US | disclosed |
| US-5220032-A | Herbicidal substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones | BAYER AKTIENGESELLSCHAFT (DE) | 1993-06-15 | — | — | US | disclosed |
| EP-0415196-B1 | SUBSTITUTED 4,5-DIAMINO-1,2,4-TRIAZOL-3-(THI)ONES | BAYER AG (DE) | 1993-03-24 | — | — | EP | disclosed |
| EP-0502307-A2 | Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones | BAYER AG (DE) | 1992-09-09 | — | — | EP | disclosed |
| US-5082490-A | HERBICIDAL SUBSTITUTED 4,5-DIAMINO-1,2,4-TRIAZOL-3-(THI)ONES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-01-21 | — | — | US | disclosed |
| EP-0415196-A2 | Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones | BAYER AG (DE) | 1991-03-06 | — | — | EP | disclosed |