⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11382641 | 1.00 | — | — | |
| SCHEMBL5334904 | 0.74 | — | — | |
| SCHEMBL5334903 | 0.74 | — | — | |
| SCHEMBL3347195 | 0.72 | — | — | |
| SCHEMBL5435180 | 0.72 | — | — | |
| SCHEMBL2551767 | 0.72 | — | — | |
| SCHEMBL9686684 | 0.72 | — | — | |
| SCHEMBL7073711 | 0.72 | — | — | |
| SCHEMBL7073712 | 0.72 | — | — | |
| SCHEMBL1074725 | 0.72 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020058994-A1 | METHOD OF FUMIGATING AN AGRICULTURAL SOIL AND RELATED FUMIGATION APPARATUS | ISAGRO S.P.A. (IT) | 2020-03-26 | — | — | WO | claimed |
| CN-104262612-B | A kind of preparation method of the ester type polyethers containing unsaturated double-bond | 江苏苏博特新材料股份有限公司 | 2018-01-02 | — | — | CN | claimed |
| CN-105267967-A | Combined application of isothiocyanate-type compound and anti-cancer drug acting or affecting DNA | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2016-01-27 | — | — | CN | claimed |
| CN-104415332-A | Combined application between isothiocyanate-type compound and kinase inhibitor medicine in treatment of cancer | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2015-03-18 | — | — | CN | claimed |
| CN-104262612-A | Preparation method of ester-type polyether containing unsaturated double bond | JIANGSU SUBOTE NEW MAT CO LTD | 2015-01-07 | — | — | CN | claimed |
| CN-104117064-A | Combined application of isothiocyanate compound and hormone medicine | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2014-10-29 | — | — | CN | claimed |
| CN-119345196-A | Preventive or therapeutic agent for hypoxia disorder, ischemia reperfusion disorder or inflammation, cytoprotective agent for transplantation, and organism preservative | 脑科学香料株式会社 | 2025-01-24 | — | — | CN | disclosed |
| CN-119112885-A | Preventive or therapeutic agent for hypoxia disorder, ischemia reperfusion disorder or inflammation, cytoprotective agent for transplantation, and organism preservative | 脑科学香料株式会社 | 2024-12-13 | — | — | CN | disclosed |
| CN-119015277-A | Preventive or therapeutic agent for hypoxia disorder, ischemia reperfusion disorder or inflammation, cytoprotective agent for transplantation, and organism preservative | 脑科学香料株式会社 | 2024-11-26 | — | — | CN | disclosed |
| CN-111918649-B | Preventive or therapeutic agent for hypoxia disorder, ischemia reperfusion disorder or inflammation, cytoprotective agent for transplantation, and organism preservative | 脑科学香料株式会社 | 2024-07-30 | — | — | 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 |
| WO-2020021544-A1 | CANNABIDIOL AND METHYLTHIO-BUTYL-ISOTHIOCYANATE FOR TREATING INFLAMMATORY DISEASES | BOL PHARMA LTD. (IL) | 2020-01-30 | — | — | WO | disclosed |
| CN-104173272-A | Sustained release preparation of isothiocyanate compound | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2014-12-03 | — | — | CN | disclosed |
| CN-104117064-A | Combined application of isothiocyanate compound and hormone medicine | WUXI JC PHARMACAUTICAL TECHNOLOGY INC | 2014-10-29 | — | — | CN | disclosed |
| CN-102548531-A | Oral care compositions comprising a polymeric dye | UNILEVER NV | 2012-07-04 | — | — | CN | disclosed |
| EP-1841320-A2 | METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS | S.U.L.V.E. Ltd. (IL) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006075330-A2 | METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS | S.U.L.V.E. LTD. (IL) | 2006-07-20 | — | — | WO | disclosed |
| US-4283403-A | Substituted isoxazolines for control of plant phytopathogens | ELI LILLY AND COMPANY (US) | 1981-08-11 | — | — | US | disclosed |
| US-4173645-A | INSECTICIDES, MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | disclosed |