⚠ 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 | |
|---|---|---|---|---|
| Ditiocarb SCHEMBL7130058 | 0.97 | ABCB11 (0.88) | — | |
| Ditiocarb SCHEMBL30777192 | 0.97 | ABCB11 (1.00) | — | |
| Ditiocarb SCHEMBL48382 | 0.97 | — | — | |
| Ditiocarb SCHEMBL28259658 | 0.94 | ABCB11 (0.83) | — | |
| Ditiocarb SCHEMBL23045104 | 0.94 | — | — | |
| Ditiocarb SCHEMBL3134487 | 0.94 | — | — | |
| Ditiocarb SCHEMBL622679 | 0.94 | — | — | |
| Ditiocarb SCHEMBL21359739 | 0.94 | ABCB11 (0.94) | — | |
| Ditiocarb SCHEMBL21801890 | 0.94 | — | — | |
| Ditiocarb SCHEMBL451162 | 0.94 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119604603-A | Lubricating oil composition for corrosion control | 雪佛龙奥伦耐有限责任公司 | 2025-03-11 | — | — | CN | disclosed |
| CN-103772318-B | A kind of organic compound for measuring metal ion content in water surrounding and application thereof | TIANJIN HEOWNS BIOCHEMISTRY TECHNOLOGY CO., LTD. (CN) | 2015-11-11 | — | — | CN | disclosed |
| CN-103772318-A | Organic compound for measuring content of metal ions in water environment and application of organic compound | TIANJIN HEOWNS BIOCHEMISTRY TECHNOLOGY CO LTD | 2014-05-07 | — | — | CN | disclosed |
| US-6258760-B1 | A GREASE CAPABLE OF SUPPRESSING VIBRATION OF CONSTANT VELOCITY VIBRATIONS OF CVJ; COMPRISES A BASE OIL, A UREA THICKENING AGENT, A MOLYBDENUM DIALKYLDITHIOCARBAMATE, AND AT LEAST ONE MOLYBDENUM DI(ALKYL OR ARYL)DITHIOPHOSPHATE | SHOWA SHELL SEKIYU K.K. (JP) | 2001-07-10 | — | — | US | disclosed |
| EP-0208541-B1 | LUBRICANT COMPOSITIONS | NIPPON OIL CO. LTD. (JP) | 1991-12-04 | — | — | EP | disclosed |
| EP-0208541-A2 | Lubricant compositions | NIPPON OIL CO. LTD. (JP) | 1987-01-14 | — | — | EP | disclosed |