⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL253076 | 0.97 | — | — | |
| Water SCHEMBL6682358 | 0.95 | APOBEC3G (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL28122501 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28662790 | 0.95 | — | — | |
| Formic Acid SCHEMBL29129702 | 0.85 | — | — | |
| Sulfuric Acid SCHEMBL9355340 | 0.85 | ALDH1A1 (0.32) | — | |
| Phosphoric Acid SCHEMBL2026928 | 0.85 | CYP2C19 (0.34) | — | |
| Piperidine SCHEMBL28431606 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL29543911 | 0.81 | — | — | |
| SCHEMBL344424 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1145723-A | Herbicidal compositions containing metolachlor and sulfonylureas and their method of use | DU PONT (US) | 1997-03-26 | — | — | CN | claimed |
| CN-1064986-A | HERBICIDAL MIXTURES CONTAINING SULFONYLUREAS AND ACETANILIDES | DU PONT (US) | 1992-10-07 | — | — | CN | claimed |
| CN-1229352-C | Herbicidal 2- (5-isoxazolinyl methoxyphenyl) -4, 5, 6, 7-tetrahydro-2H-indazole derivatives | KOREA RES INST OF CHEMIAL TECH (US) | 2005-11-30 | — | — | CN | disclosed |
| CN-1080719-C | Substituted 1H-3-aryl-pyrrolidine-2,4-diones derivative | BAYER GMBH (DE) | 2002-03-13 | — | — | CN | disclosed |
| CN-1294583-A | Herbicidal 2-(5-isoxazolinyl methyloxyphenyl)-4,5,6,7-tetrahydro-2h-indazole derivatives | KOREA RES INST OF CHEMIAL TECH (KR) | 2001-05-09 | — | — | CN | disclosed |
| CN-1145723-A | Herbicidal compositions containing metolachlor and sulfonylureas and their method of use | DU PONT (US) | 1997-03-26 | — | — | CN | disclosed |
| CN-1110680-A | Substituted 1H-3-aryl-pyrrolidine-2,4-diones derivative | BYLL GMBH (DE) | 1995-10-25 | — | — | CN | disclosed |
| CN-1064986-A | HERBICIDAL MIXTURES CONTAINING SULFONYLUREAS AND ACETANILIDES | DU PONT (US) | 1992-10-07 | — | — | CN | disclosed |