SCHEMBL1140451

SCHEMBL1140451

c1ccc(COOCC2CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MGLL Q99685 3/20 0.46
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL715660 0.82 LMNA (0.57) TDP1MGLLALDH1A1GLAMEN1
SCHEMBL153049 0.82 LMNA (0.57) TDP1MGLLALDH1A1GLAMEN1
SCHEMBL306297 0.82 LMNA (0.57) TDP1MGLLALDH1A1GLAMEN1
SCHEMBL16993434 0.81 LMNA (0.55) TDP1MGLLALDH1A1GLAMEN1
Water SCHEMBL8913477 0.81 LMNA (0.55) TDP1MGLLALDH1A1GLAMEN1
Ammonia Solution, Strong SCHEMBL28849284 0.81 LMNA (0.55) TDP1MGLLALDH1A1GLAMEN1
Methyl Alcohol SCHEMBL2110245 0.78 LMNA (0.53) TDP1MGLLALDH1A1GLAMEN1
SCHEMBL471843 0.78 TDP1 (0.50) TDP1MGLLALDH1A1GLAMEN1
Methyl Alcohol SCHEMBL7344184 0.78 LMNA (0.53) TDP1MGLLALDH1A1GLAMEN1
SCHEMBL20173664 0.78 TDP1 (0.39) TDP1MGLLALDH1A1GLAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114686195-A High-temperature-resistant corrosion inhibitor for oil field water injection well and preparation method thereof 中国石油化工股份有限公司 2022-07-01 CN claimed
CN-114686195-A High-temperature-resistant corrosion inhibitor for oil field water injection well and preparation method thereof 中国石油化工股份有限公司 2022-07-01 CN disclosed
CN-114686195-A High-temperature-resistant corrosion inhibitor for oil field water injection well and preparation method thereof 中国石油化工股份有限公司 2022-07-01 CN disclosed
CN-113138531-A Resin composition, cured film, and black matrix 新应材股份有限公司 2021-07-20 CN disclosed
US-20110034602-A1 Thixotropic reactive composition SIKA TECHNOLOGY AG (CH) 2011-02-10 US disclosed
EP-0747371-B1 Epoxy resins consisting of flexible chains terminated with glycidyloxyphenyl groups for use in microelectronics adhesives NAT STARCH CHEM INVEST (US) 2000-09-06 EP disclosed
US-5717054-A QUICK-SETTING NATIONAL STARCH & CHEMICAL INVESTMENT HOLDING CORP. (US) 1998-02-10 US disclosed
EP-0747371-A1 Epoxy resins consisting of flexible chains terminated with glycidyloxyphenyl groups for use in microelectronics adhesives National Starch and Chemical Investment Holding Corporation (US) 1996-12-11 EP disclosed