⚠ 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL11339734 | 0.85 | — | — | |
| Isothiocyanate SCHEMBL28157971 | 0.76 | — | — | |
| SCHEMBL103428 | 0.76 | — | — | |
| SCHEMBL10531283 | 0.76 | — | — | |
| Hno SCHEMBL28406803 | 0.72 | — | — | |
| Methacrylic Acid SCHEMBL15639878 | 0.71 | — | — | |
| Isothiocyanate SCHEMBL10490123 | 0.71 | — | — | |
| Isothiocyanate SCHEMBL17261553 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10445536 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL10790551 | 0.71 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113549181-B | Coating agent and preparation method and application thereof | 东莞东阳光科研发有限公司 | 2025-02-25 | — | — | CN | claimed |
| CN-114539114-B | Continuous production process and reactor for isoaster | 河北野田农用化学有限公司 | 2023-11-24 | — | — | CN | claimed |
| CN-116283693-A | Synthesis method and system of 2-chloropropene isothiocyanate | 内蒙古立威生物科技有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-217697973-U | Device for continuously distilling 2-chloropropene isothiocyanate | 山西玉龙化工有限公司 | 2022-11-01 | — | — | CN | claimed |
| CN-113549181-B | Coating agent and preparation method and application thereof | 东莞东阳光科研发有限公司 | 2025-02-25 | — | — | CN | disclosed |
| CN-115785020-B | Synthesis method of 2-chloro-5-chloromethylthiazole | 济宁福顺化工有限公司 | 2024-07-23 | — | — | CN | disclosed |
| CN-220736239-U | Recycling system for extracting hydrochloric acid by using 2-chloro-5-chloromethylthiazole | 山西玉龙化工有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-115109008-B | Method for prolonging toluene solvent application in preparation of 2-chloro-5-chloromethylthiazole | 山西玉龙化工有限公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-114539114-B | Continuous production process and reactor for isoaster | 河北野田农用化学有限公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-116283693-A | Synthesis method and system of 2-chloropropene isothiocyanate | 内蒙古立威生物科技有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116283693-A | Synthesis method and system of 2-chloropropene isothiocyanate | 内蒙古立威生物科技有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116283693-A | Synthesis method and system of 2-chloropropene isothiocyanate | 内蒙古立威生物科技有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-217697973-U | Device for continuously distilling 2-chloropropene isothiocyanate | 山西玉龙化工有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-217697973-U | Device for continuously distilling 2-chloropropene isothiocyanate | 山西玉龙化工有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-217697973-U | Device for continuously distilling 2-chloropropene isothiocyanate | 山西玉龙化工有限公司 | 2022-11-01 | — | — | CN | disclosed |