⚠ 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 | |
|---|---|---|---|---|
| Thiodiglycol SCHEMBL40132 | 0.82 | — | — | |
| Thiodiglycol SCHEMBL10534858 | 0.82 | TDP1 (1.00) | — | |
| Thiodiglycol SCHEMBL11502476 | 0.78 | — | — | |
| SCHEMBL195715 | 0.78 | TDP1 (0.91) | — | |
| SCHEMBL9638413 | 0.78 | TDP1 (0.91) | — | |
| SCHEMBL8727419 | 0.78 | TDP1 (0.33) | — | |
| Thiodiglycol SCHEMBL22462119 | 0.78 | — | — | |
| SCHEMBL3900037 | 0.78 | TDP1 (0.91) | — | |
| Hydrogen Sulfide SCHEMBL11047600 | 0.74 | TDP1 (0.83) | — | |
| Thiodiglycol SCHEMBL8771610 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112851599-B | Compound with biscationic quaternary ammonium salt structure, and preparation method and application thereof | 四川大学华西医院 | 2023-06-09 | — | — | CN | disclosed |
| EP-0882715-B1 | NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES | KUREHA CHEMICAL IND CO LTD (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-6339045-B1 | CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2002-01-15 | — | — | US | disclosed |
| EP-0882715-A1 | NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1998-12-09 | — | — | EP | disclosed |