⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL788406 | 0.85 | — | — | |
| SCHEMBL8471693 | 0.80 | FOLH1 (0.41) | — | |
| SCHEMBL4008869 | 0.78 | — | — | |
| SCHEMBL1665110 | 0.72 | — | — | |
| SCHEMBL18280923 | 0.71 | — | — | |
| SCHEMBL7189689 | 0.70 | — | — | |
| SCHEMBL13374802 | 0.70 | — | — | |
| SCHEMBL18468501 | 0.70 | — | — | |
| SCHEMBL27455701 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL27456737 | 0.70 | TSHR (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240115626-A1 | COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES | CHURCH & DWIGHT CO., INC. (US) | 2024-04-11 | — | — | US | disclosed |
| US-11801273-B2 | Compositions and methods to increase production of isothiocyanates | CHURCH & DWIGHT CO., INC. (US) | 2023-10-31 | — | — | US | disclosed |
| WO-2023133494-A2 | OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS | BRASSICA PROTECTION PRODUCTS LLC (US) | 2023-07-13 | — | — | WO | disclosed |
| WO-2022140409-A1 | COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES | CHURCH & DWIGHT CO., INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| US-20220193152-A1 | COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES | CHURCH & DWIGHT CO., INC. (US) | 2022-06-23 | — | — | US | disclosed |
| US-20190046530-A1 | PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS | KONSTANTOPOULOS KONSTANTINOS (US) | 2019-02-14 | — | — | US | disclosed |
| US-20160038485-A1 | PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS | TALALAY, PAUL | 2016-02-11 | — | — | US | disclosed |
| US-8927007-B2 | Formulations for treatment with glucosinolates | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-01-06 | — | — | US | disclosed |
| EP-2616061-A2 | FORMULATIONS FOR TREATMENT WITH GLUCOSINOLATE | Brassica Protection Products LLC (US) | 2013-07-24 | — | — | EP | disclosed |
| US-20130164365-A1 | FORMULATIONS FOR TREATMENT WITH GLUCOSINOLATES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-06-27 | — | — | US | disclosed |
| WO-2012037193-A2 | FORMULATIONS FOR TREATMENT WITH GLUCOSINOLATE | BRASSICA PROTECTION PRODUCTS LLC (US) | 2012-03-22 | — | — | WO | disclosed |
| US-20100015085-A1 | PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS | JOHNS HOPKINS UNIVERSITY | 2010-01-21 | — | — | US | disclosed |