⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28923734 | 0.76 | — | — | |
| SCHEMBL956731 | 0.72 | — | — | |
| SCHEMBL4459168 | 0.71 | — | — | |
| SCHEMBL28147519 | 0.70 | — | — | |
| SCHEMBL384256 | 0.69 | — | — | |
| SCHEMBL2892756 | 0.68 | — | — | |
| SCHEMBL5736478 | 0.67 | — | — | |
| SCHEMBL1119763 | 0.67 | — | — | |
| SCHEMBL956909 | 0.66 | — | — | |
| SCHEMBL4460742 | 0.65 | EPHX1 (0.38) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115386245-A | Preparation method and application of lipophilic carbon nitride nanosheet | 浙江理工大学 | 2022-11-25 | — | — | CN | claimed |
| US-20160250175-A1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | JC (WUXI) COMPANY, INC. (CN) | 2016-09-01 | — | — | US | claimed |
| EP-3034076-A1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | JC (Wuxi) COMPANY, Inc. (CN) | 2016-06-22 | — | — | EP | claimed |
| EP-3446689-B1 | ISOTHIOCYANATE COMPOUND FOR USE IN THE TREATMENT OF HYPERBILIRUBINEMIA | JC WUXI COMPANY INC (CN) | 2025-01-08 | — | — | EP | disclosed |
| US-11298334-B2 | Use of isothiocyanate compounds | JC (WUXI) COMPANY, INC. (CN) | 2022-04-12 | — | — | US | disclosed |
| US-20190142780-A1 | USE OF ISOTHIOCYANATE COMPOUNDS | JC (WUXI) COMPANY, INC. (CN) | 2019-05-16 | — | — | US | disclosed |
| US-10010520-B2 | Combined application of isothiocyanate compound and anti-cancer medicine | JC (WUXI) COMPANY, INC. (CN) | 2018-07-03 | — | — | US | disclosed |
| US-20160250175-A1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | JC (WUXI) COMPANY, INC. (CN) | 2016-09-01 | — | — | US | disclosed |
| EP-3034076-A1 | COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE | JC (Wuxi) COMPANY, Inc. (CN) | 2016-06-22 | — | — | EP | disclosed |