SCHEMBL2777129

SCHEMBL2777129

C=CCOS(=O)CC=C

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1884924 0.80
SCHEMBL1884923 0.78
SCHEMBL7933315 0.77
SCHEMBL667596 0.75 CYP2C19 (0.33)
SCHEMBL11218273 0.73
SCHEMBL10811395 0.73
SCHEMBL11227086 0.73
SCHEMBL10383483 0.72 LPAR3 (0.34)
SCHEMBL25453246 0.70
SCHEMBL5552306 0.70

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225554-A1 CANNABINOIDS AND IL-15 ACTIVATE NK CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-23 WO disclosed
WO-2023225635-A1 METHODS AND COMPOSITIONS FOR IMPROVED PSYCHOLOGICAL AND RESILIENCE MEASURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-23 WO disclosed
WO-2023141119-A1 BACTERIAL COMPOSITIONS AND METHODS FOR TREATING CANCER AND IMMUNE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-27 WO disclosed
WO-2023114445-A1 PREVENTION OF BONE LOSS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-22 WO disclosed
US-10603289-B2 Process for the manufacture of ajoene derivatives DANMARKS TEKNISKE UNIVERSITET (DK) 2020-03-31 US disclosed
EP-3020397-B1 AJOENE FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS UNIV DANMARKS TEKNISKE (DK) 2019-04-17 EP disclosed
US-20180360773-A1 PROCESS FOR THE MANUFACTURE OF AJOENE DERIVATIVES UNIV DANMARKS TEKNISKE (DK) 2018-12-20 US disclosed
CN-104490766-B Allicin solution and its production method 新疆埃乐欣药业有限公司 2017-09-22 CN disclosed
CN-104498351-B Low-temperature air-isolated allicin production apparatus and usage method thereof 新疆埃乐欣药业有限公司 2017-05-03 CN disclosed
US-20160158269-A1 Nutraceutical Composition And Methods For Prevention Or Treating Multiple Sclerosis TRUSTEES OF DARTMOUTH COLLEGE 2016-06-09 US disclosed
WO-2003075901-A2 USE OF S-SUBSTITUTED L-CRYSTEINE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DERMATOLOGICAL DISORDERS GHISALBERTI CARLO (BR) 2003-09-18 WO disclosed
EP-0554319-B1 ANTIMICROBIAL COMPOSITION INTERPRISE LTD (GB) 2000-12-27 EP disclosed
US-5705152-A Antimicrobial composition INTERPRISE LIMITED (GB) 1998-01-06 US disclosed
EP-0554319-A1 ANTIMICROBIAL COMPOSITION INTERPRISE LIMITED (GB) 1993-08-11 EP disclosed
WO-1992007575-A1 ANTIMICROBIAL COMPOSITION INTERPRISE LIMITED (GB) 1992-05-14 WO disclosed
CN-1054982-A The purine that replaces, its preparation method and as the purposes of antiviral drug HOECHST AG (DE) 1991-10-02 CN disclosed
US-4665088-A ANTICOAGULANTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1987-05-12 US disclosed
US-4665088-A ANTICOAGULANTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1987-05-12 US disclosed
US-4643994-A ANTICOAGULANTS, ANTIBIOTICS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1987-02-17 US disclosed
EP-0185324-A2 Novel organic trithio oxides and method for the preparation thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1986-06-25 EP disclosed