SCHEMBL2233429

SCHEMBL2233429

CCOP(=O)(OC)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARD Q03181 2/20 0.31
GAA P10253 3/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL3818106 0.91 ALDH1A1 (0.35) TSHRCYP3A4L3MBTL1GAANPSR1
SCHEMBL3823280 0.89 TSHR (0.65) TSHRTP53TDP1CYP3A4L3MBTL1
SCHEMBL1296634 0.89 TSHR (0.65) TSHRTP53TDP1CYP3A4L3MBTL1
SCHEMBL2231833 0.86 ALDH1A1 (0.35) TSHRCYP3A4L3MBTL1GAANPSR1
SCHEMBL575185 0.83 TSHR (0.71) TSHRTP53TDP1CYP3A4PPARD
Fluoride SCHEMBL28903894 0.81 TSHR (0.67) TSHRTP53TDP1CYP3A4PPARD
SCHEMBL17373608 0.78 CYP3A4 (0.31) TSHRCYP3A4L3MBTL1GAANPSR1
SCHEMBL133326 0.78 TSHR (0.45) TSHRCYP3A4L3MBTL1GAANPSR1
SCHEMBL388425 0.78
SCHEMBL20261798 0.76 TSHR (0.67) TSHRTP53TDP1CYP3A4PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510877-A Cleaning composition for pretreatment of metal substrates, method for the production thereof and use thereof 巴斯夫涂料有限公司 2024-08-16 CN disclosed
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
US-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
US-8716182-B2 Liquid aqueous crop protection formulations BASF SE (DE) 2014-05-06 US disclosed
CN-102176820-A Liquid crop protection formulations containing pyraclostrobin BASF SE 2011-09-07 CN disclosed
CN-102176821-A Liquid aqueous crop protection formulations BASF SE 2011-09-07 CN disclosed
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations AQP1, GANC, BROX TSHR 4639/4885TP53 240/4885TDP1 2542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.