SCHEMBL685093

SCHEMBL685093

C=C(C)C(=O)OCC(O)CNC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.40
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
KISS1R Q969F8 2/20 0.40
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
Hydrochloric Acid SCHEMBL1345735 0.98 TSHR (0.53) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL24754925 0.87 TSHR (0.53) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL94906 0.84 TSHR (0.68) TSHRALDH1A1THRBKDM4E
SCHEMBL1754785 0.84 TSHR (0.53) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19663739 0.82 TSHR (0.45) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL12621226 0.82 KDM4E (0.53) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL19998240 0.82 TSHR (0.65) TSHRALDH1A1THRBKDM4E
SCHEMBL3412120 0.81 TSHR (0.59) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL14448266 0.81 TSHR (0.50) TSHRALDH1A1KISS1RTHRBKDM4E
SCHEMBL9503239 0.81 TSHR (0.55) TSHRALDH1A1ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024124356-A1 BIOINKS AND METHODS OF SYNTHESIZING, CHARACTERIZING, AND DEPLOYING BIOINKS VOXCELL BIOINNOVATION INC. (CA) 2024-06-20 WO disclosed
EP-2657304-B1 AZO DYE, OCULAR LENS MATERIAL, METHOD FOR PRODUCING OCULAR LENS MATERIAL, AND OCULAR LENS MENICON CO LTD (JP) 2022-12-07 EP disclosed
US-8546495-B2 Polyaniline-added prepolymer, method of manufacturing polyaniline-added prepolymer, polyaniline graft polymer, method of manufacturing polyaniline graft polymer, cross-linked material, and paint TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2013-10-01 US disclosed
US-20120208119-A1 TONER FOR ELECTROPHOTOGRAPHY AND TONER SET KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-08-16 US disclosed
US-20110281997-A1 POLYANILINE-ADDED PREPOLYMER, METHOD OF MANUFACTURING POLYANILINE-ADDED PREPOLYMER, POLYANILINE GRAFT POLYMER, METHOD OF MANUFACTURING POLYANILINE GRAFT POLYMER, CROSS-LINKED MATERIAL, AND PAINT NARD INSTITUTE, LTD. (JP) 2011-11-17 US disclosed
US-20090111942-A1 Method for Making Surface Modified Biomedical Devices BAUSCH & LOMB INCORPORATED (US) 2009-04-30 US disclosed
US-7387716-B2 Reference half cell, contains a copolymer containing 3-Amino-2-hydroxypropyl methacrylate or 2-amino-3-hydroxypropyl methacrylate, 3 -diethylamino-2-hydroxypropyl methacrylate or 3-ethoxy-2-hydroxypropyl methacrylate and other monomer is hydroxyalkyl methacrylate, a silylated methacryalate coupler METTLER-TOLEDO AG (CH) 2008-06-17 US disclosed
US-7309557-B2 Image forming apparatus and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2007-12-18 US disclosed
US-20070205098-A1 Reference half cell, contains a copolymer containing 3-Amino-2-hydroxypropyl methacrylate or 2-amino-3-hydroxypropyl methacrylate, 3 -diethylamino-2-hydroxypropyl methacrylate or 3-ethoxy-2-hydroxypropyl methacrylate and other monomer is hydroxyalkyl methacrylate, a silylated methacryalate coupler METTLER-TOLEDO GMBH 2007-09-06 US disclosed
US-20060029878-A1 Image forming apparatus and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2006-02-09 US disclosed