SCHEMBL577806

SCHEMBL577806

c1ccc(CCSCCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.76
CYP2D6 P10635 3/20 0.76
CYP2C19 P33261 3/20 0.76
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CA2 P00918 1/20 0.58
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CES1 P23141 2/20 0.54
TDP1 Q9NUW8 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP2A6 P11509 1/20 0.52
HTR2A P28223 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
MAOA P21397 2/20 0.52

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
SCHEMBL29738636 0.97 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL11576084 0.87 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL5975033 0.87 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL1462235 0.87 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL9180229 0.87 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL25141717 0.87 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL577035 0.86 CA2 (0.62) CYP1A2CYP2D6CYP2C19CA2SMN1; SMN2
SCHEMBL14524164 0.84 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL775567 0.84 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CA2MAOA
SCHEMBL28774334 0.84 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9

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 227 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986225-A Purification preparation and application of chloroethylene carbonate 深圳有为技术控股集团有限公司 2024-05-07 CN claimed
CN-117924340-A Novel sulfur-containing ionic compound and preparation method and application thereof 深圳有为技术控股集团有限公司 2024-04-26 CN claimed
CN-117796395-A Application of benzyl methyl sulfide in inhibiting plant pathogenic bacteria 云南省热带作物科学研究所 2024-04-02 CN claimed
CN-115524439-A Selective retention index construction method suitable for flame photometric detector 中国人民解放军军事科学院防化研究院 2022-12-27 CN claimed
CN-113122058-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-109970607-B Method for preparing sulfoxide by catalyzing thioether oxidation through metal-free heterogeneous catalyst 广东省工业分析检测中心 2021-06-04 CN claimed
CN-112774733-A Cage-shaped supramolecular catalyst for catalyzing thioether oxidation and preparation method and application thereof 福州大学 2021-05-11 CN claimed
CN-111153837-A Method for preparing sulfoxide compound by catalytic oxidation of thioether with nickel compound 上海应用技术大学 2020-05-15 CN claimed
CN-104610263-B Chiral imidazolidinone-phenol 成都理工大学 2016-06-29 CN claimed
CN-104610263-A Chiral imidazolinone-phenol UNIV CHENGDU TECHNOLOGY 2015-05-13 CN claimed
CN-101372676-B A strain of Rhodococcus and use thereof for preparing optical pure chiral sulphoxide UNIV EAST CHINA SCIENCE & TECH 2010-08-18 CN claimed
CN-101372676-A A strain of Rhodococcus and use thereof for preparing optical pure chiral sulphoxide UNIV EAST CHINA SCIENCE & TECH (CN) 2009-02-25 CN claimed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
US-6893895-B1 CuS formation by anodic sulfide passivation of copper surface ADVANCED MICRO DEVICES, INC. (US) 2005-05-17 US claimed
US-4500569-A REDUCTION OF ADDUCT TO GIVE CATALYTICALLY ACTIVE SURFACE OF PALLADIUM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-02-19 US claimed
EP-0042210-B1 PALLADIUM(II) BIS (HEXAFLUOROACETYLACETONATE), ADDUCTS DERIVED THEREFROM AND USES THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-08-01 EP claimed
US-4424352-A LEWIS BASES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-01-03 US claimed
EP-0042210-A2 Palladium(II) bis (hexafluoroacetylacetonate), adducts derived therefrom and uses thereof MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-12-23 EP claimed
US-4110234-A PHENYLATED NAPHTHYLAMINE, SULFUR COMPOUND, METAL UNIROYAL, INC. (US) 1978-08-29 US claimed