SCHEMBL22734895

SCHEMBL22734895

CCCCCCCCCCCC(Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
CSNK1E P49674 1/20 0.44
CYP19A1 P11511 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
NAAA Q02083 2/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
KCNH2 Q12809 2/20 0.41
ASAH1 Q13510 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ACER2 Q5QJU3 1/20 0.40

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
SCHEMBL27806681 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL7573099 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL27692872 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL11806604 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL2404354 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL6681848 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL6685358 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL14636124 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL8728015 1.00 HTR2A (0.45) HTR2ACSNK1ECYP19A1SIGMAR1NAAA
SCHEMBL28516127 0.98 HTR2A (0.44) HTR2ACSNK1ECYP19A1SIGMAR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110452462-A Reinforced flame-retardant polypropylene composite material and preparation method thereof SHANDONG SHOUGUANG JIANYUANCHUN CHEMICAL CO LTD 2019-11-15 CN claimed
EP-3751631-B1 POLYMER MATERIAL, MATERIAL FOR ELECTROLUMINESCENCE DEVICE, LIQUID COMPOSITION, THIN FILM, AND ELECTROLUMINESCENCE DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-12-13 EP disclosed
US-11758800-B2 Polymer material, material for electroluminescence device, liquid composition, thin film, and electroluminescence device SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-09-12 US disclosed
EP-3751631-A1 POLYMER MATERIAL, MATERIAL FOR ELECTROLUMINESCENCE DEVICE, LIQUID COMPOSITION, THIN FILM, AND ELECTROLUMINESCENCE DEVICE Samsung Electronics Co., Ltd. (KR) 2020-12-16 EP disclosed
US-20200388763-A1 POLYMER MATERIAL, MATERIAL FOR ELECTROLUMINESCENCE DEVICE, LIQUID COMPOSITION, THIN FILM, AND ELECTROLUMINESCENCE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-12-10 US disclosed
CN-110452462-A Reinforced flame-retardant polypropylene composite material and preparation method thereof SHANDONG SHOUGUANG JIANYUANCHUN CHEMICAL CO LTD 2019-11-15 CN disclosed
CN-107735879-A Polycyclc aromatic compound and luminescent layer formation composition 学校法人关西学院 2018-02-23 CN disclosed
CN-101747350-B Thiazolothiazole derivative FUJI XEROX CO LTD 2013-04-03 CN disclosed
CN-101747350-A thiazolothiazole derivative FUJI XEROX CO LTD 2010-06-23 CN disclosed
CN-1266098-C Substituted dicyclohexylalkyl diphenyl derivative with good low-tomp, mutual solubility, its preparation and application SHIJIAZHUANG YONGSHENG HUATSIN (CN) 2006-07-26 CN disclosed
CN-1477089-A Substituted dicyclohexylalkyl diphenyl derivative with good low-tomp, mutual solubility, its preparation and application 石家庄实力克液晶材料有限公司 2004-02-25 CN disclosed