SCHEMBL491385

SCHEMBL491385

CCCCCC(=O)CCC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
AKR1B1 P15121 1/20 0.46
HAO1 Q9UJM8 1/20 0.45
FAAH O00519 1/20 0.45
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL8897711 0.98 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1
SCHEMBL18085816 0.98 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1
SCHEMBL8096567 0.98 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1
SCHEMBL8896880 0.89 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1
SCHEMBL8896005 0.89 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1
SCHEMBL8896816 0.89 KMT2A (0.59) KMT2AMAPTCES2CES1HAO1
SCHEMBL18800136 0.86 KMT2A (0.50) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL7028989 0.85 MAPT (0.36) KMT2AMAPTTSHRALDH1A1TDP1
SCHEMBL8896875 0.84 KMT2A (0.54) KMT2AMAPTCES2CES1HAO1
SCHEMBL28332249 0.84 MAPT (0.46) KMT2AMAPTCES2CES1AKR1B1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106114-B2 Drag reducing agent and method of use BETA TECHNOLOGIE AG (CH) 2012-01-31 US claimed
WO-2011053359-A1 DRAG REDUCING AGENT AND METHOD OF USE EATON GERALD BRUCE (US) 2011-05-05 WO claimed
US-20110105642-A1 Drag reducing agent and method of use CADENCE BANK 2011-05-05 US claimed
US-12146877-B2 Graphene-modified electrodes MESO SCALE TECHNOLOGIES, LLC. (US) 2024-11-19 US disclosed
CN-104640808-B Composition comprising graphene 沃尔贝克材料有限公司 2020-10-02 CN disclosed
CN-107935830-A A kind of process for being catalyzed 2,6,8 trimethyl of methyl iso-butyl ketone (MIBK) one-step synthesis, 4 nonanone 常州大学 2018-04-20 CN disclosed
US-9828484-B2 Graphenic dispersions and slurries and coatings thereof GRAPHENIX DEVELOPMENT, INC. (US) 2017-11-28 US disclosed
US-9731540-B2 Security devices VORBECK MATERIALS CORP. 2017-08-15 US disclosed
CN-102318450-B Printed electronic device 普林斯顿大学理事会 2016-10-19 CN disclosed
US-20150337104-A1 GRAPHENIC DISPERSIONS AND SLURRIES AND COATINGS THEREOF GRAPHENIX DEVELOPMENT, INC. 2015-11-26 US disclosed
US-20140145426-A1 Security Devices VORBECK MATERIALS CORP. (US) 2014-05-29 US disclosed
WO-2014004649-A1 GRAPHENIC DISPERSIONS AND SLURRIES AND COATINGS THEREOF GRAPHENIX DEVELOPMENT, INC. (US) 2014-01-03 WO disclosed
US-8302778-B2 Methyl isobutyl carbinol mixture and methods of using same NALCO COMPANY (US) 2012-11-06 US disclosed
US-20120111772-A1 METHYL ISOBUTYL CARBINOL MIXTURE AND METHODS OF USING SAME ECOLAB USA INC. 2012-05-10 US disclosed
US-8106114-B2 Drag reducing agent and method of use BETA TECHNOLOGIE AG (CH) 2012-01-31 US disclosed
US-20110186786-A1 Graphene Compositions VORBECK MATERIALS CORP. (US) 2011-08-04 US disclosed
WO-2011053359-A1 DRAG REDUCING AGENT AND METHOD OF USE EATON GERALD BRUCE (US) 2011-05-05 WO disclosed
US-20110105642-A1 Drag reducing agent and method of use CADENCE BANK 2011-05-05 US disclosed