SCHEMBL7187822

SCHEMBL7187822

CC1[CH]CC(C)(C)C1

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
SCHEMBL12484238 0.78
SCHEMBL10582610 0.72
SCHEMBL4431564 0.72
SCHEMBL10365205 0.69 APLNR (0.33)
SCHEMBL10581097 0.69
SCHEMBL14974529 0.61
SCHEMBL14974702 0.61
SCHEMBL243452 0.61
SCHEMBL11876676 0.60
SCHEMBL20526474 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4045095-B1 IRON (III) COMPLEXES WITH NOVEL CONTRAST PROPERTIES FOR MAGNETIC RESONANCE IMAGING UNIV BERLIN CHARITE (DE) 2023-08-02 EP disclosed
EP-4045095-A1 IRON(III) COMPLEXES HAVING NEW CONTRAST AGENT PROPERTIES, FOR MAGNETIC RESONANCE IMAGING Charité - Universitätsmedizin Berlin (DE) 2022-08-24 EP disclosed
WO-2021074368-A1 IRON(III) COMPLEXES HAVING NEW CONTRAST AGENT PROPERTIES, FOR MAGNETIC RESONANCE IMAGING CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2021-04-22 WO disclosed
EP-3808381-A1 IRON (III) COMPLEXES WITH NOVEL CONTRAST PROPERTIES FOR MAGNETIC RESONANCE IMAGING Charité - Universitätsmedizin Berlin (DE) 2021-04-21 EP disclosed
EP-3762438-A1 BIOCIDAL COATING MATERIAL AND ASSOCIATED PRODUCTION PROCESS El Kudsi, Karim (DE) 2021-01-13 EP disclosed
EP-3383839-B1 PROCESS FOR THE PREPARATION OF N,N´-UNSUBSTITUTED CARBOXAMIDINES ALZCHEM TROSTBERG GMBH (DE) 2020-05-06 EP disclosed
EP-3118238-B1 LIQUID HARDENERS FOR CURING EPOXY RESINS (I) ALZCHEM TROSTBERG GMBH (DE) 2020-03-18 EP disclosed
WO-2019170653-A1 BIOCIDAL COATING MATERIAL AND ASSOCIATED PRODUCTION PROCESS EL KUDSI KARIM (DE) 2019-09-12 WO disclosed
EP-3536725-A1 BIOCIDAL COATING MATERIAL AND METHOD OF MANUFACTURING THE SAME El Kudsi, Karim (DE) 2019-09-11 EP disclosed
EP-3383839-A2 PROCESS FOR THE PREPARATION OF N,N´-UNSUBSTITUTED CARBOXAMIDINES AlzChem Trostberg GmbH (DE) 2018-10-10 EP disclosed
EP-0199257-A2 L-Aminodicarboxylic acid esters and an edible composition containing same as sweeteners GENERAL FOODS CORPORATION (US) 1986-10-29 EP disclosed
US-4619782-A L-aminodicarboxylic acid gem-diamines GENERAL FOODS CORPORATION (US) 1986-10-28 US disclosed
US-4619834-A Sweetening with L-aminodicarboxylic acid aminoalkenoic acid ester amides GENERAL FOODS CORPORATION (US) 1986-10-28 US disclosed
US-4603012-A L-aminodicarboxylic acid alkanes GENERAL FOODS CORPORATION (US) 1986-07-29 US disclosed
EP-0186173-A2 L-Aminodicarboxylic-(0-cycloalkyl)-L-aminocarboxylate alkyl esters, an edible composition containing same as sweeteners and a method for sweetening an edible composition GENERAL FOODS CORPORATION (US) 1986-07-02 EP disclosed
US-4572799-A L-Aminodicarboxylic acid amides GENERAL FOODS CORPORATION (US) 1986-02-25 US disclosed
US-4571308-A L-Aminodicarboxylic acid aminoalkenoic acid ester amides GENERAL FOODS CORPORATION (US) 1986-02-18 US disclosed
US-4544402-A PRE- AND POSTEMERGENCE CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) 1985-10-01 US disclosed
EP-0096189-A2 Use of possibly substituted thiomethyl-cycloalkylamino-s-triazine as a selective agent against weeds and grasses HÜLS AKTIENGESELLSCHAFT (DE) 1983-12-21 EP disclosed
EP-0084767-A2 Use of chloro-s-triazines substituted by one or two cyclohexylamino groups with at least 3 monovalent substituents, or substituted by cyclopentylamino groups, as selective agents against weeds and harmful grasses HÜLS AKTIENGESELLSCHAFT (DE) 1983-08-03 EP disclosed