SCHEMBL867604

SCHEMBL867604

C=CCCCc1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HDAC1 Q13547 2/20 0.36
HDAC4 P56524 1/20 0.36
NAAA Q02083 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
TLR8 Q9NR97 1/20 0.32
MEN1 O00255 1/20 0.32
KDM4A O75164 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27848962 0.94 TAAR1 (0.48) TAAR1DRD2DRD3HDAC1HDAC4
SCHEMBL6034032 0.92 TAAR1 (0.47) TAAR1DRD2DRD3HDAC1HDAC4
SCHEMBL8510347 0.92 TAAR1 (0.47) TAAR1DRD2DRD3HDAC1HDAC4
SCHEMBL10765524 0.88
SCHEMBL9855401 0.80 TAAR1 (0.65) TAAR1DRD2DRD3NAAAALDH1A1
SCHEMBL10521145 0.78 TAAR1 (0.62) TAAR1DRD2DRD3NAAAALDH1A1
SCHEMBL2090609 0.77
SCHEMBL29819537 0.75 HDAC1 (0.43) HDAC1HDAC4HPGDALDH1A1USP2
SCHEMBL2096400 0.75 TAAR1 (0.54) TAAR1DRD2DRD3HDAC1NAAA
SCHEMBL8671494 0.75 TAAR1 (0.71) TAAR1DRD2DRD3NAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9065056-B2 Semi-fluoroalkyl group substituted organic semiconductor polymer and organic thin film transistor including the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-06-23 US disclosed
US-9065056-B2 Semi-fluoroalkyl group substituted organic semiconductor polymer and organic thin film transistor including the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-06-23 US disclosed
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
US-20140110689-A1 SEMI-FLUOROALKYL GROUP SUBSTITUTED ORGANIC SEMICONDUCTOR POLYMER AND ORGANIC THIN FILM TRANSISTOR INCLUDING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-04-24 US disclosed
US-20140110689-A1 SEMI-FLUOROALKYL GROUP SUBSTITUTED ORGANIC SEMICONDUCTOR POLYMER AND ORGANIC THIN FILM TRANSISTOR INCLUDING THE SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-04-24 US disclosed
WO-2012044778-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed