SCHEMBL396944

SCHEMBL396944

CC[C](CC)C(C)(C)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
SCHEMBL10931141 0.79
SCHEMBL6471956 0.79 ALDH1A1 (0.35)
SCHEMBL11412577 0.75
SCHEMBL5704388 0.73 CES2 (0.42)
SCHEMBL7057813 0.71 CES1 (0.44)
SCHEMBL15158037 0.71 CES1 (0.44)
SCHEMBL10457444 0.69 CES2 (0.37)
SCHEMBL3965429 0.69 TSHR (0.38)
SCHEMBL23111415 0.67 TSHR (0.33)
SCHEMBL18399600 0.67 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2920225-B1 REACTION ACCELERATOR FOR A COPOLYMERISATION , ELECTRICAL-INSULATION TAPE, ELECTRICAL-INSULATION BODY, AND CONSOLIDATION BODY SIEMENS AG (DE) 2017-11-29 EP claimed
US-20150361103-A1 REACTION ACCELERATOR FOR A COPOLYMERISATION, ELECTRICAL-INSULATION TAPE, ELECTRICAL-INSULATION BODY, AND CONSOLIDATION BODY SIEMENS AKTIENGESELLSCHAFT (DE) 2015-12-17 US claimed
CN-104968702-A Reaction accelerator for a copolymerisation, electrical-insulation tape, electrical-insulation body, and consolidation body SIEMENS AG 2015-10-07 CN claimed
US-8846981-B2 1,1-di[(alkylphenoxy)ethoxy]cyclohexanes SOUTHERN LITHOPLATE, INC. (US) 2014-09-30 US claimed
EP-2762512-A1 Reaction accelerator for a copolymerization, electrical insulation tape, electrical insulation body and consolidation body Siemens Aktiengesellschaft (DE) 2014-08-06 EP claimed
US-20130197274-A1 1,1-DI[(ALKYLPHENOXY)ETHOXY]CYCLOHEXANES SOUTHERN LITHOPLATE, INC. 2013-08-01 US claimed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
US-20190055223-A1 TOXIN AND METHOD FOR PREPARING INTERMEDIATE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2019-02-21 US disclosed
US-10087198-B2 Reaction accelerator for a copolymerisation, electrical-insulation tape, electrical-insulation body, and consolidation body SIEMENS AKTIENGESELLSCHAFT (DE) 2018-10-02 US disclosed
US-4616008-A LIPID-SOLUBLE CEPHALOSPORINS AND CYCLODEXTRINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-10-07 US disclosed
EP-0163433-A2 Antibacterial solid composition for oral administation Takeda Chemical Industries, Ltd. (JP) 1985-12-04 EP disclosed
US-4497809-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-02-05 US disclosed
EP-0086826-A4 ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES. FMC CORP (US) 1983-12-23 EP disclosed
EP-0093548-A2 Cephalosporin derivatives Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed
EP-0086826-A1 ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES. FMC CORP (US) 1983-08-31 EP disclosed
WO-1983000870-A1 ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES FMC CORP (US) 1983-03-17 WO disclosed