SCHEMBL6965382

SCHEMBL6965382

CCOP(=S)(OC)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 7/20 0.38
TP53 P04637 2/20 0.35
ALDH1A1 P00352 7/20 0.34
HSD17B10 Q99714 5/20 0.34
CYP3A4 P08684 4/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
ACHE P22303 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
SCHEMBL10790063 0.94
SCHEMBL3826872 0.83 TDP1 (0.56) TDP1MEN1KMT2ATSHRTP53
Sulfotep SCHEMBL6323280 0.79 TDP1 (0.43) TDP1MEN1KMT2ATSHRTP53
Sulfotep SCHEMBL8191946 0.78 TDP1 (0.46) TDP1MEN1KMT2ATSHRTP53
Sulfotep SCHEMBL35637 0.78 TDP1 (0.46) TDP1MEN1KMT2ATSHRTP53
SCHEMBL13020545 0.77 MEN1 (0.37) TDP1MEN1KMT2A
Sulfotep SCHEMBL19510253 0.75 TDP1 (0.44) TDP1MEN1KMT2ATSHRTP53
Sulfotep SCHEMBL21060526 0.75 TDP1 (0.44) TDP1MEN1KMT2ATSHRTP53
Sulfotep SCHEMBL22721240 0.75 TSHR (0.45) TDP1MEN1KMT2ATSHRTP53
Sulfotep SCHEMBL10606468 0.75 TDP1 (0.44) TDP1MEN1KMT2ATSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939747-B Preparation method of guaiacol 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-112939747-A Preparation method of guaiacol 万华化学集团股份有限公司 2021-06-11 CN claimed
CN-112666288-A Method for measuring volatile organic compounds in solid waste 江苏微谱检测技术有限公司 2021-04-16 CN claimed
CN-112939747-B Preparation method of guaiacol 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-112939747-A Preparation method of guaiacol 万华化学集团股份有限公司 2021-06-11 CN disclosed
CN-112666288-A Method for measuring volatile organic compounds in solid waste 江苏微谱检测技术有限公司 2021-04-16 CN disclosed
CN-108467617-B Reactive surface coatings with chemical decontamination and biocidal properties 美国消毒器公司 2020-08-21 CN disclosed
CN-109126010-A A method of it decontaminant containing more niobium oxygen clusters, preparation and its degrades for V class chemical warfare agent analogies 北京理工大学 2019-01-04 CN disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed