SCHEMBL29629112

SCHEMBL29629112

Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
AHR P35869 14/20 0.48
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL11343864 1.00 CYP3A4 (0.56) CYP3A4AHRHPGDHSD17B10TSHR
SCHEMBL28744258 0.81 CYP3A4 (0.60) CYP3A4AHRHPGDHSD17B10TSHR
SCHEMBL29508980 0.80 CYP3A4 (0.53) CYP3A4AHRHPGDHSD17B10TSHR
SCHEMBL28744259 0.80 CYP3A4 (0.53) CYP3A4AHRHPGDHSD17B10TSHR
SCHEMBL29629138 0.80 CYP3A4 (0.53) CYP3A4AHRHPGDHSD17B10TSHR
SCHEMBL29857997 0.80 CYP3A4 (0.53) CYP3A4AHRHPGDHSD17B10TSHR
SCHEMBL29508966 0.74 CYP3A4 (0.50) CYP3A4AHRHPGDHSD17B10TSHR
Pentachlorobenzene SCHEMBL11455164 0.73 CYP3A4 (1.00) CYP3A4AHRHPGDHSD17B10TSHR
Pentachlorobenzene SCHEMBL183144 0.73 CYP3A4 (1.00) CYP3A4AHRHPGDHSD17B10TSHR
SCHEMBL28941095 0.72 AHR (0.45) CYP3A4AHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114428145-B Method for measuring migration amount of polynaphthalene chloride in food contact material 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2023-03-21 CN claimed
CN-114428145-A Method for measuring migration amount of polynaphthalene chloride in food contact material 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2022-05-03 CN claimed
CN-114428145-B Method for measuring migration amount of polynaphthalene chloride in food contact material 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2023-03-21 CN disclosed
CN-114428145-A Method for measuring migration amount of polynaphthalene chloride in food contact material 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2022-05-03 CN disclosed