SCHEMBL1453178

SCHEMBL1453178

CC(C)(C)B(O)O

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
SCHEMBL29219360 0.87 THRB (0.38)
SCHEMBL28526561 0.78 CA1 (0.38)
SCHEMBL14927130 0.74
SCHEMBL2249214 0.74
SCHEMBL10780329 0.70
Tert-Butanol SCHEMBL8147019 0.67
Boric Acid SCHEMBL19209937 0.63 LMNA (0.40)
Boric Acid SCHEMBL474845 0.63 THRB (0.43)
Boric Acid SCHEMBL17962526 0.63 THRB (0.43)
Boric Acid SCHEMBL31247984 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226395-A1 THERMAL ENERGY STORAGE PHASE CHANGE MATERIALS COMPRISING BORONIC ACIDS AND METHODS OF MAKING AND USING THEM ENTROPY SOLUTIONS LLC (US) 2017-08-10 US claimed
WO-2016025536-A1 THERMAL ENERGY STORAGE PHASE CHANGE MATERIALS COMPRISING BORONIC ACIDS AND METHODS OF MAKING AND USING THEM ENTROPY SOLUTIONS INC. (US) 2016-02-18 WO claimed
CN-117945995-A Alkylated nitrogen-containing heterocyclic compound and preparation method and application thereof 中国科学院青海盐湖研究所 2024-04-30 CN disclosed
CN-112824367-B Organic compound, organic light emitting diode and organic light emitting display device including the same 乐金显示有限公司 2024-04-05 CN disclosed
US-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-20240047742-A1 ELECTROLYTE AND STORAGE DEVICE DKS CO. LTD. (JP) 2024-02-08 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-4270430-A1 ELECTROLYTE AND ELECTRICITY STORAGE DEVICE DKS Co. Ltd. (JP) 2023-11-01 EP disclosed
US-11802102-B2 Organic compound, and organic light emitting diode and organic light emitting display device including the same LG DISPLAY CO., LTD. (KR) 2023-10-31 US disclosed
US-20230338311-A1 SUPPRESSION OF INFLAMMASOME ACTIVATION WASHINGTON UNIVERSITY (US) 2023-10-26 US disclosed
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
EP-1503980-A2 SUBSTITUTED HYDROXYETHYLAMINES Elan Pharmaceuticals, Inc. (US) 2005-02-09 EP disclosed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP disclosed
WO-2003072535-A2 SUBSTITUTED HYDROXYETHYLAMINES ELAN PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US disclosed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed
US-4565883-A Cyanoacrylate adhesive composition TEROSON GMBH (DE) 1986-01-21 US disclosed
US-4279807-A FOR POLYVINYL CHLORIDE M&T CHEMICALS INC. (US) 1981-07-21 US disclosed