SCHEMBL17844265

SCHEMBL17844265

COC(=O)c1cccc(COCCC#N)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.56
LOXL2 Q9Y4K0 1/20 0.55
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SLC7A5 Q01650 1/20 0.48
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
CTSB P07858 2/20 0.44
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43

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
SCHEMBL6000185 0.84 LOXL2 (0.70) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL2849191 0.83 CYP4F2 (0.68) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL5277923 0.83 CYP4F2 (0.68) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL18105883 0.81 CYP4F2 (0.64) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL18105881 0.81 CYP4F2 (0.64) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL6667451 0.80 LOXL2 (0.64) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL40562 0.80 LOXL2 (0.64) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL29539688 0.80 LOXL2 (0.64) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A
SCHEMBL4324492 0.79 RAB9A (0.51) MRGPRX4LOXL2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10235310 0.79 MAPT (0.63) MRGPRX4LOXL2CYP4F2CYP4A11RAB9A

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
CN-107406714-B Composition containing hole carrier material and fluorine-containing polymer and use thereof 日产化学工业株式会社 2021-09-28 CN disclosed
CN-107531887-B Compositions containing a hole carrier material and a poly (aryl ether sulfone) and uses thereof 日产化学工业株式会社 2021-02-02 CN disclosed
US-20200032086-A1 COMPOSITIONS CONTAINING HOLE CARRIER MATERIALS AND POLY(ARYL ETHER SULFONE)S, AND USES THEREOF SOLVAY USA INC. 2020-01-30 US disclosed
US-10435579-B2 Compositions containing hole carrier materials and fluoropolymers, and uses thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-10-08 US disclosed
US-20170369727-A1 COMPOSITIONS CONTAINING HOLE CARRIER MATERIALS AND FLUOROPOLYMERS, AND USES THEREOF SOLVAY USA INC. 2017-12-28 US disclosed
US-20170362451-A1 COMPOSITIONS CONTAINING HOLE CARRIER MATERIALS AND POLY(ARYL ETHER SULFONE)S, AND USES THEREOF SOLVAY USA INC. 2017-12-21 US disclosed
EP-3234017-A1 COMPOSITIONS CONTAINING HOLE CARRIER MATERIALS AND FLUOROPOLYMERS, AND USES THEREOF Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
EP-3234018-A1 COMPOSITIONS CONTAINING HOLE CARRIER MATERIALS AND POLY(ARYL ETHER SULFONE)S, AND USES THEREOF Nissan Chemical Industries, Ltd. (JP) 2017-10-25 EP disclosed
WO-2016100321-A1 COMPOSITIONS CONTAINING HOLE CARRIER MATERIALS AND POLY(ARYL ETHER SULFONE)S, AND USES THEREOF SOLVAY USA, INC. (US) 2016-06-23 WO disclosed
WO-2016100313-A1 COMPOSITIONS CONTAINING HOLE CARRIER MATERIALS AND FLUOROPOLYMERS, AND USES THEREOF SOLVAY USA, INC. (US) 2016-06-23 WO disclosed