SCHEMBL427104

SCHEMBL427104

CSc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
USP2 O75604 1/20 0.54
CYP2C19 P33261 1/20 0.54
CES2 O00748 2/20 0.47
SLC6A9 P48067 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
SORT1 Q99523 9/20 0.46
TAS2R14 Q9NYV8 1/20 0.44
CFTR P13569 1/20 0.44
GRIK1 P39086 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL28095379 0.88 CES2 (0.49) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL9857873 0.86 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL29683463 0.86 CES2 (0.47) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL6751351 0.86 CES2 (0.47) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL2325301 0.85 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL3028484 0.85 CES2 (0.46) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL11752106 0.83 SLC6A9 (0.47) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL29276537 0.83 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL16666658 0.82 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL5843160 0.82 CFTR (0.63) ALDH1A1HPGDKDM4EHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271215-A Method for synthesizing 2-methylthio-4-trifluoromethyl benzoic acid 江苏中旗科技股份有限公司 2024-07-02 CN claimed
CN-109824560-A 1- cyclopropyl -3-(2- methyl mercapto -4- trifluoromethyl) propane-1,3-dione preparation method 利尔化学股份有限公司 2019-05-31 CN claimed
CN-224194737-U 1-Cyclopropyl-3- (2-methylthio-4-trifluoromethyl phenyl) propyl-1, 3-dione production system 内蒙古蓝科生物科技有限公司 2026-05-05 CN disclosed
CN-118324713-A Benzothiazole compound 上海泰初化工技术有限公司 2024-07-12 CN disclosed
CN-118271215-A Method for synthesizing 2-methylthio-4-trifluoromethyl benzoic acid 江苏中旗科技股份有限公司 2024-07-02 CN disclosed
CN-118271215-A Method for synthesizing 2-methylthio-4-trifluoromethyl benzoic acid 江苏中旗科技股份有限公司 2024-07-02 CN disclosed
CN-118271215-A Method for synthesizing 2-methylthio-4-trifluoromethyl benzoic acid 江苏中旗科技股份有限公司 2024-07-02 CN disclosed
CN-217173591-U Production system of benzoylpyrazole 内蒙古蓝科生物科技有限公司 2022-08-12 CN disclosed
CN-217120226-U Production system of isoxazole compound 内蒙古蓝科生物科技有限公司 2022-08-05 CN disclosed
CN-113004179-B Preparation method of isoxaflutole key intermediate 江苏中旗科技股份有限公司 2022-06-24 CN disclosed
CN-113004179-A Preparation method of isoxaflutole key intermediate 江苏中旗科技股份有限公司 2021-06-22 CN disclosed
EP-0487357-B1 4 Benzoyl isoxazole derivatives RHONE POULENC AGRICULTURE (GB) 1997-07-02 EP disclosed
EP-0527036-B1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1996-11-06 EP disclosed
US-5424276-A Herbicidal 4-acyl-5-pyridylisoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1995-06-13 US disclosed
EP-0496631-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP disclosed
US-5366957-A Plant growth regulators RHONE-POULENC ARGRICULTURE LTD (GB) 1994-11-22 US disclosed
EP-0527036-A1 4-Benzoylisoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-02-10 EP disclosed
EP-0524018-A1 Isoxazole herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1993-01-20 EP disclosed
EP-0496631-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP disclosed
EP-0487357-A1 4 Benzoyl isoxazole derivatives RHONE-POULENC AGRICULTURE LTD. (GB) 1992-05-27 EP disclosed