SCHEMBL28453243

SCHEMBL28453243

CCCCOC(=O)[C@H](C)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
ALB P02768 1/20 0.41
CYP2C9 P11712 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
STS P08842 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL28453248 1.00 ALDH1A1 (0.41) ALDH1A1TSHRTDP1LMNAALB
SCHEMBL12659567 0.95 ALDH1A1 (0.38) ALDH1A1TSHRTDP1LMNAALB
SCHEMBL21118959 0.92 KMT2A (0.40) ALDH1A1TSHRTDP1LMNAALB
SCHEMBL10808641 0.87 TSHR (0.46) ALDH1A1TSHRTDP1LMNAKMT2A
SCHEMBL2325747 0.87 KMT2A (0.47) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL7587366 0.87 KMT2A (0.47) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL2081536 0.87 KMT2A (0.47) ALDH1A1TSHRLMNAKMT2AMEN1
SCHEMBL6155399 0.86 PLA2G2C (0.41) ALDH1A1TSHRTDP1LMNAALB
SCHEMBL13622112 0.84 ALDH1A1 (0.38) ALDH1A1LMNACYP2C9PLA2G2CKMT2A
SCHEMBL11088444 0.82 KMT2A (0.43) ALDH1A1TSHRLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490617-B Preparation process of cyhalofop-butyl with low cost and high optical purity content 江苏丰山生化科技有限公司 2024-03-26 CN disclosed
CN-115490617-A Preparation process of low-cost high-light pure content cyhalofop-butyl 江苏丰山集团股份有限公司 2022-12-20 CN disclosed
CN-113816873-A Production and preparation method of cyhalofop-butyl herbicide 维讯化工(南京)有限公司 2021-12-21 CN disclosed
CN-113816873-A Production and preparation method of cyhalofop-butyl herbicide 维讯化工(南京)有限公司 2021-12-21 CN disclosed
CN-113767911-A Herbicide composition containing cyhalofop-butyl and preparation method thereof 维讯化工(南京)有限公司 2021-12-10 CN disclosed
CN-107253912-B Synthetic method of cyhalofop-butyl 江苏永凯化学有限公司 2020-07-31 CN disclosed