SCHEMBL868922

SCHEMBL868922

BrCCCCc1ccsc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
NAAA Q02083 1/20 0.40
GLS O94925 1/20 0.39
NPC1 O15118 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19578597 0.98 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL3277114 0.98 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL2382082 0.98 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL16760660 0.98 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL3284129 0.98 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL23094089 0.98 TAAR1 (0.52) TAAR1DRD2DRD3NAAAGLS
SCHEMBL12484215 0.93
SCHEMBL9855401 0.89 TAAR1 (0.65) TAAR1DRD2DRD3NAAAGLS
SCHEMBL10521145 0.86 TAAR1 (0.62) TAAR1DRD2DRD3NAAAGLS
SCHEMBL1309636 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874745-A Thiophene derivative conjugated polymer containing amphoteric ions and preparation method and application thereof 浙江工业大学 2023-10-13 CN disclosed
WO-2021049539-A1 SENSOR MATERIAL FOR DETECTING TASTE COMPONENT, AND DETECTION METHOD 国立大学法人 東京大学 2021-03-18 WO disclosed
WO-2021049539-A1 SENSOR MATERIAL FOR DETECTING TASTE COMPONENT, AND DETECTION METHOD 国立大学法人 東京大学 2021-03-18 WO disclosed
CN-110591693-B Fluorescent switch system, preparation method and application 中国科学院化学研究所 2020-07-21 CN disclosed
CN-110591693-A Fluorescent switch system, preparation method and application 中国科学院化学研究所 2019-12-20 CN disclosed
US-20170244041-A1 CARBON NANOTUBE COMPOSITE, SEMICONDUCTOR DEVICE, AND SENSOR USING SAME TORAY INDUSTRIES, INC. (JP) 2017-08-24 US disclosed
CN-105669953-A Development of electron/hole double-channel polymer material and application in organic solar cell 南京工业大学 2016-06-15 CN disclosed
US-20160155948-A1 CARBON NANOTUBE COMPOSITE, SEMICONDUCTOR DEVICE, AND SENSOR USING SAME TORAY INDUSTRIES, INC. (JP) 2016-06-02 US disclosed
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
WO-2012044778-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO disclosed
US-8148005-B2 rechargeable batteries having excellent current charge-discharge characteristics as well as a high energy density comprising cathodes, anodes and polypyrroles or polythiophenes as the active material polyelectrolytes DENSO CORPORATION (JP) 2012-04-03 US disclosed
US-8148005-B2 rechargeable batteries having excellent current charge-discharge characteristics as well as a high energy density comprising cathodes, anodes and polypyrroles or polythiophenes as the active material polyelectrolytes DENSO CORPORATION (JP) 2012-04-03 US disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed
US-20080102374-A1 Active material for secondary battery, and secondary battery DENSO CORPORATION (JP) 2008-05-01 US disclosed
US-20080102374-A1 Active material for secondary battery, and secondary battery DENSO CORPORATION (JP) 2008-05-01 US disclosed