SCHEMBL5100962

SCHEMBL5100962

Brc1ccc[c]c1I

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
SCHEMBL11687667 0.80 ALDH1A1 (0.41)
SCHEMBL232211 0.72
SCHEMBL59224 0.72
SCHEMBL6593673 0.68
SCHEMBL457674 0.68
SCHEMBL1179804 0.68
SCHEMBL221930 0.68
SCHEMBL7015006 0.68
SCHEMBL1179675 0.68
SCHEMBL1798111 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242945-B2 Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2016-01-26 US claimed
US-20140086941-A1 SUBSTITUTED 2-BENZYLIDENE-2H-BENZO[b][1,4]THIAZIN-3(4H)-ONES, DERIVATIVES THEREOF, AND THERAPEUTIC USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-27 US claimed
WO-2012166586-A1 SUBSTITUTED 2-BENZYLIDENE-2H-BENZO[b][1,4]THIAZIN-3(4H)-ONES, DERIVATIVES THEREOF, AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-12-06 WO claimed
CN-111836872-B Compound for organic electric element, organic electric element using the same, and electronic device using the same 德山新勒克斯有限公司 2023-10-24 CN disclosed
CN-116332916-A Compound for organic electric element, organic electric element using the same, and electronic device using the same 德山新勒克斯有限公司 2023-06-27 CN disclosed
CN-116332914-A Compound for organic electric element, organic electric element using the same, and electronic device using the same 德山新勒克斯有限公司 2023-06-27 CN disclosed
CN-108137497-B Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-15 CN disclosed
CN-111836872-A Compound for organic electric element, organic electric element using the same, and electronic device thereof 德山新勒克斯有限公司 2020-10-27 CN disclosed
WO-2019190101-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2019-10-03 WO disclosed
US-9242945-B2 Substituted 2-benzylidene-2H-benzo[b][1,4]thiazin-3(4H)-ones, derivatives thereof, and therapeutic uses thereof Temple University—Of the Commonwealth System of Higher Education (US) 2016-01-26 US disclosed
US-20140086941-A1 SUBSTITUTED 2-BENZYLIDENE-2H-BENZO[b][1,4]THIAZIN-3(4H)-ONES, DERIVATIVES THEREOF, AND THERAPEUTIC USES THEREOF ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-27 US disclosed
US-4482655-A SUBSTITUTED SUCCINIC ANHYDRIDE COUPLER MILLIKEN RESEARCH CORPORATION (US) 1984-11-13 US disclosed
US-4328041-A TREATED WITH SUBSTITUTED SUCCINIC ANHYDRIDE MILLIKEN RESEARCH CORPORATION (US) 1982-05-04 US disclosed
US-4192792-A Atactic polypropylene KENRICH PETROCHEMICALS, INC. (US) 1980-03-11 US disclosed
US-4122062-A FILLERS KENRICH PETROCHEMICALS, INC. (US) 1978-10-24 US disclosed
US-4098758-A ORGANIC ACIDS, FOR USE IN POLYMER SYSTEMS KENRICH PETROCHEMICALS, INC. (US) 1978-07-04 US disclosed
US-4096110-A Filled polyesters containing organic titanate esters KENRICH PETROCHEMICALS, INC. (US) 1978-06-20 US disclosed
US-4094853-A Alkoxy titanate salts useful as coupling agents KENRICH PETROCHEMICALS, INC. (US) 1978-06-13 US disclosed
US-4087402-A USED FOR TREATMENT OF INORGANIC FILLERS KENRICH PETROCHEMICALS, INC. (US) 1978-05-02 US disclosed
US-4069192-A ORGANIC KENRICH PETROCHEMICALS, INC. (US) 1978-01-17 US disclosed