⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21406551 | 0.92 | — | — | |
| SCHEMBL19550921 | 0.86 | — | — | |
| SCHEMBL8581059 | 0.78 | — | — | |
| SCHEMBL22628157 | 0.77 | — | — | |
| SCHEMBL22798405 | 0.75 | — | — | |
| SCHEMBL1376475 | 0.74 | — | — | |
| SCHEMBL20665906 | 0.74 | — | — | |
| SCHEMBL104991 | 0.74 | — | — | |
| SCHEMBL21782567 | 0.74 | — | — | |
| SCHEMBL19322788 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118873522-A | Application of isothiocyanate compound | 无锡杰西医药股份有限公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-113262218-B | Use of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-113262218-A | Application of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-113181160-A | Application of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-104173272-B | Sustained-release preparation of isothiocyanate compounds | 无锡杰西医药股份有限公司 | 2021-07-06 | — | — | CN | disclosed |
| CN-105267967-B | Combined application of isothiocyanate compounds and anti-cancer drugs acting on or influencing DNA (deoxyribonucleic acid) | 无锡杰西医药股份有限公司 | 2021-05-18 | — | — | CN | disclosed |
| CN-104117064-B | Combined application of isothiocyanate compounds and hormone drugs | 无锡杰西医药股份有限公司 | 2021-02-26 | — | — | CN | disclosed |