SCHEMBL503980

SCHEMBL503980

O=C(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.70
RXRA P19793 2/20 0.64
RXRB P28702 2/20 0.64
RXRG P48443 1/20 0.64
SRD5A2 P31213 2/20 0.54
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
P2RX1 P51575 2/20 0.48
GAA P10253 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.46
TACR1 P25103 1/20 0.46
GPR35 Q9HC97 1/20 0.45
SLC6A2 P23975 1/20 0.45
P2RY14 Q15391 1/20 0.45
CES1 P23141 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL7485970 0.98 CES2 (0.67) CES2RXRARXRBRXRGSRD5A2
SCHEMBL28119413 0.98 CES2 (0.67) CES2RXRARXRBRXRGSRD5A2
SCHEMBL545011 0.95 CES2 (0.62) CES2RXRARXRBRXRGSRD5A2
SCHEMBL17048588 0.91 RXRA (0.72) CES2RXRARXRBRXRGSRD5A2
SCHEMBL12187529 0.89 CES2 (0.57) CES2RXRARXRBRXRGSRD5A2
SCHEMBL15965533 0.89 CES2 (0.57) CES2RXRARXRBRXRGSRD5A2
SCHEMBL3002963 0.88 CES2 (0.55) CES2RXRARXRBRXRGSRD5A2
SCHEMBL30770849 0.87 HCAR1 (0.55) CES2RXRARXRBRXRGSRD5A2
SCHEMBL477824 0.87 CA12 (0.60) CES2RXRARXRBRXRGSRD5A2
SCHEMBL29789615 0.87 CA12 (0.60) CES2RXRARXRBRXRGSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161567-B Catalyst for polyester, preparation method and application thereof, and preparation method of polyester 中国科学院宁波材料技术与工程研究所 2026-05-15 CN claimed
US-20250161908-A1 Tailored nanoporous sorbents for rapid, noninvasive disease detection NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC 2025-05-22 US claimed
CN-119161567-A Catalyst for polyester, preparation method and application thereof, and preparation method of polyester 中国科学院宁波材料技术与工程研究所 2024-12-20 CN claimed
CN-118530266-A Zinc complex crystal material and preparation method and application thereof 中国科学院福建物质结构研究所 2024-08-23 CN claimed
CN-117887086-A Application of halogen functionalized metal organic framework material in storage and delivery of fluorine-containing electron special gas 华为技术有限公司 2024-04-16 CN claimed
WO-2024074141-A1 POROUS MATERIAL AND APPLICATION THEREOF 华为技术有限公司 2024-04-11 WO claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-110770271-B Method for preparing functionalized fluorinated monomers, fluorinated monomers and compositions for preparing same 埃特纳科技有限公司 2023-04-18 CN claimed
CN-111876227-B Lamellar liquid crystal lubricant with cleaning and anti-creeping properties and preparation method thereof 扬州工业职业技术学院 2022-05-27 CN claimed
CN-110452169-B Method for constructing tetrahydroisoquinoline compounds 中国科学院福建物质结构研究所 2021-02-19 CN claimed
US-6027890-A DETECTING LIGAND BINDING BY INCUBATING TAGGED MEMBERS WITH BIOLOGICAL SAMPLE, SEPARATING BOUND FROM UNBOUND MEMBERS, CLEAVING TAG, THEN DETECTING BY NON-FLUORESCENT SPECTROSCOPY OR POTENTIOMETRY RAPIGENE, INC. (US) 2000-02-22 US claimed
EP-0962464-A2 Methods and compositions for detecting binding of ligand pair using non-fluorescent label Rapigene, Inc. (US) 1999-12-08 EP claimed
WO-1999005319-A9 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE INC (US) 1999-06-17 WO claimed
WO-1999005319-A2 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE, INC. (US) 1999-02-04 WO claimed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP claimed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP claimed
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed