SCHEMBL461610

SCHEMBL461610

CC(C)(C)C=C[C]=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
SCHEMBL2163483 1.00
SCHEMBL15055824 0.67
SCHEMBL9454432 0.67
SCHEMBL1761276 0.67
SCHEMBL6414129 0.67
SCHEMBL162489 0.67
SCHEMBL15940374 0.67
SCHEMBL6415994 0.67
SCHEMBL2051949 0.67
SCHEMBL7591759 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543379-B Can laser labelling organic/inorganic hydrogel and its preparation and application 常州大学 2018-12-07 CN claimed
CN-108854564-A A kind of low-phosphorus antiincrustation agent for Treated sewage reusing reverse osmosis membrane 史怀国 2018-11-23 CN claimed
US-9416084-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2016-08-16 US claimed
CN-1259948-A 6,7-disubstituted-4-aminopyrido [2,3-D] pyrimidine compounds ABBOTT LAB (US) 2000-07-12 CN claimed
US-12006311-B2 Compounds for use in preventing or treating cancer FUNDACIÓ HOSPITAL UNIVERSITARI VALL D'HEBRONINSTITUT DE RECERCA (ES) 2024-06-11 US disclosed
EP-4356909-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF Selabtec Sciences, SLU (ES) 2024-04-24 EP disclosed
WO-2024029475-A1 WAVELENGTH CONVERSION FILM FORMING COMPOSITION 日産化学株式会社 2024-02-08 WO disclosed
EP-3160475-B1 SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES TO TREAT FILOVIRIDAE INFECTIONS JANSSEN PHARMACEUTICALS INC (US) 2024-01-03 EP disclosed
EP-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
US-11590155-B2 Substituted nucleosides, nucleotides and analogs thereof JANSSEN PHARMACEUTICA NV (BE) 2023-02-28 US disclosed
US-6869783-B1 Method for producing chiral carboxylic acids from nitriles with the assistance of a nitrilase or microoganisms which contain a gene for the nitrilase BASF AKTIENGESELLSCHAFT (DE) 2005-03-22 US disclosed
US-6794170-B2 HALOGENATION OF PREFERENTIAL COMPOUNDS; OBTAIN COMPOUND SAMPLE, INCUBATE WITH HALOGENASE, RECOVER HALOGENATED COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030096335-A1 Nucleic acid fragment and vector comprising a halogenase, and a process for halogenating chemical compounds PELZER STEFAN (DE) 2003-05-22 US disclosed
US-6566110-B1 Nucleotide sequences coding polypeptide for use tool in halogenating compounds BASF AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
WO-2000077182-A9 NUCLEIC ACID FRAGMENT AND VECTOR CONTAINING HALOGENASE AND METHOD FOR THE HALOGENATION OF CHEMICAL COMPOUNDS BASF AG (DE) 2002-09-12 WO disclosed
EP-1123386-A1 METHOD FOR PRODUCING CHIRAL CARBOXYLIC ACIDS FROM NITRILES WITH THE ASSISTANCE OF A NITRILASE OR MICROORGANISMS WHICH CONTAIN A GENE FOR THE NITRILASE BASF AKTIENGESELLSCHAFT (DE) 2001-08-16 EP disclosed
CN-1259948-A 6,7-disubstituted-4-aminopyrido [2,3-D] pyrimidine compounds ABBOTT LAB (US) 2000-07-12 CN disclosed
WO-2000023577-A1 METHOD FOR PRODUCING CHIRAL CARBOXYLIC ACIDS FROM NITRILES WITH THE ASSISTANCE OF A NITRILASE OR MICROORGANISMS WHICH CONTAIN A GENE FOR THE NITRILASE BASF AKTIENGESELLSCHAFT (DE) 2000-04-27 WO disclosed