SCHEMBL953578

SCHEMBL953578

[CH2]CC1CCC(C)CC1

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
SCHEMBL6588678 0.89 ACHE (0.35)
SCHEMBL6591397 0.89 ACHE (0.40)
SCHEMBL10221 0.83
SCHEMBL10355207 0.83
SCHEMBL5388249 0.82
SCHEMBL6589715 0.82 ACHE (0.38)
SCHEMBL27976822 0.79
SCHEMBL28035879 0.79
SCHEMBL5678755 0.77
SCHEMBL953022 0.75 NOS3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof NEFZI ADEL (US) 2005-05-26 US claimed
US-20030120066-A1 Synthetic peptides NEFZI ADEL (US) 2003-06-26 US claimed
EP-1181279-A4 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INST (US) 2002-09-25 EP claimed
US-6441172-B1 DI- AND TRI-SUBSTITUTED-1,4-DIAZACYCLIC COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2002-08-27 US claimed
EP-1181279-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-02-27 EP claimed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
CN-113249037-B Photocurable adhesive composition for optical film, photocurable adhesive layer for optical film, optical element, and display device 三星SDI株式会社 2024-03-01 CN disclosed
CN-113249037-A Photocurable adhesive composition for optical film, photocurable adhesive layer for optical film, optical member and display device 三星SDI株式会社 2021-08-13 CN disclosed
US-20210246341-A1 PHOTOCURABLE ADHESIVE COMPOSITION FOR OPTICAL FILM, PHOTOCURABLE ADHESIVE LAYER FOR OPTICAL FILM, OPTICAL MEMBER, AND DISPLAY APPARATUS SAMSUNG SDI CO., LTD. (KR) 2021-08-12 US disclosed
EP-2721100-B1 ENVIRONMENTALLY FRIENDLY COALESCING AGENTS PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2020-08-19 EP disclosed
EP-2006279-B1 METHOD FOR PRODUCTION OF A PHOSPHATE SALT OF AN AMINO ACID COSMO ALA CO LTD (JP) 2016-04-27 EP disclosed
CN-105025714-A Plant growth accelerator COSMO OIL CO LTD 2015-11-04 CN disclosed
US-4564620-A 5,6,7,-Trinor-4,8-inter-m-phenylene PGI2 derivatives and anti-ulcer, anti-thrombotic and anti-hypertensive pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1986-01-14 US disclosed
EP-0060640-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1985-11-13 EP disclosed
EP-0024943-B1 5,6,7-TRINOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TORAY INDUSTRIES, INC. (JP) 1983-08-17 EP disclosed
EP-0060640-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1982-09-22 EP disclosed
US-4301164-A FOR USE AS ANTIULCER AGENTS, HYPOTENSIVE AGENTS, ANTITHROMBOSIC AGENTS TORAY INDUSTRIES, INC. (JP) 1981-11-17 US disclosed
EP-0024943-A1 5,6,7-Trinor-4,8-inter-m-phenylene PGI2 derivatives and pharmaceutical compositions containing them TORAY INDUSTRIES, INC. (JP) 1981-03-11 EP disclosed