SCHEMBL21582010

SCHEMBL21582010

CCCCOC(C)OOC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL29154145 0.83 ALDH1A1 (0.35) ALDH1A1ATMESR1HPGDTSHR
SCHEMBL2957621 0.79 ALDH1A1 (0.47) ALDH1A1ATMESR1HPGDTSHR
SCHEMBL28258557 0.77 NAAA (0.41) ALDH1A1ATMESR1HPGDTSHR
SCHEMBL1947721 0.77 ALDH1A1 (0.45) ALDH1A1ATMESR1HPGDTSHR
SCHEMBL272387 0.76 ALDH1A1 (0.39) ALDH1A1ATMHPGDTSHR
SCHEMBL28885928 0.76 LMNA (0.46) ALDH1A1ATMTSHR
SCHEMBL11572223 0.73 TSHR (0.53) ALDH1A1ATMHPGDTSHR
SCHEMBL5835751 0.72 TSHR (0.34) ALDH1A1ATMHPGDTSHR
SCHEMBL10701706 0.71 ALDH1A1 (0.34) ALDH1A1ATMESR1HPGDTSHR
SCHEMBL247190 0.70 PRKCA (0.37) ALDH1A1ATMESR1HPGDTSHR

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
WO-2020124532-A1 TERNARY WEEDING COMPOSITION CONTAINING TRIFLUDIMOXAZIN AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-06-25 WO disclosed
WO-2020118754-A1 TERNARY WEEDING COMPOSITION CONTAINING PYROXASULFONE AND USE THEREOF 青岛清原化合物有限公司 2020-06-18 WO disclosed
WO-2020006869-A1 SUBSTITUTED PYRIMIDINYL FORMYL OXIME DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2020-01-09 WO disclosed
WO-2019228215-A1 TERNARY HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO disclosed