Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL3268142

C1=CC2CCC1C2.COC(C)=O

nearest known ligand 0.48

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4146062 0.86 POLB (0.33) ALDH1A1MAPTKDM4ELMNAPOLB
SCHEMBL21433605 0.86 ALDH1A1 (0.48) ALDH1A1POLBAPEX1TDP1
Acetone SCHEMBL29196109 0.85 POLB (0.36) KDM4ELMNAPOLBAPEX1TDP1
Acetic Acid SCHEMBL539228 0.82 POLB (0.40) KDM4ELMNAPOLBAPEX1TDP1
SCHEMBL16535377 0.81 ALDH1A1 (0.58) ALDH1A1MAPT
SCHEMBL28138146 0.80
SCHEMBL7538794 0.80
Methoxymethane SCHEMBL649174 0.79
SCHEMBL143023 0.78 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL7594387 0.77 CHRM2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505688-B2 Process for the preparation of high purity norbornene alkanols and derivatives thereof PROMERUS, LLC (US) 2016-11-29 US claimed
US-20160264498-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF PROMERUS, LLC (US) 2016-09-15 US claimed
US-20150291634-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF PROMERUS, LLC (US) 2015-10-15 US claimed
WO-2014099546-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF PROMERUS, LLC (US) 2014-06-26 WO claimed
US-9505688-B2 Process for the preparation of high purity norbornene alkanols and derivatives thereof PROMERUS, LLC (US) 2016-11-29 US disclosed
US-20160264498-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF PROMERUS, LLC (US) 2016-09-15 US disclosed
US-9382271-B2 Process for the preparation of high purity norbornene alkanols and derivatives thereof PROMERUS, LLC (US) 2016-07-05 US disclosed
US-20150291634-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF PROMERUS, LLC (US) 2015-10-15 US disclosed
CN-102585069-B Method for preparing norbornene monomer composition, norbornene polymer prepared therefrom, optical film comprising the norbornene polymer, and method for preparing the norbornene polymer LG CHEMICAL CO., LTD. (KR) 2014-10-22 CN disclosed
WO-2014099546-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF PROMERUS, LLC (US) 2014-06-26 WO disclosed
CN-101489975-B Method for preparing norbornene monomer composition, norbornene polymer prepared therefrom, optical film comprising the norbornene polymer, and method for preparing the norbornene polymer LG ELECTRONICS INC 2013-01-30 CN disclosed
CN-102585069-A Method for preparing norbornene monomer composition, norbornene polymer prepared therefrom, optical film comprising the norbornene polymer, and method for preparing the norbornene polymer LG ELECTRONICS INC 2012-07-18 CN disclosed
US-20030195298-A1 Processes for making polymers containing pendant cyclic anhydride groups SUMITOMO BAKELITE CO., LTD. 2003-10-16 US disclosed
EP-1163282-B1 PROCESSES FOR MAKING POLYMERS CONTAINING PENDANT CYCLIC ANHYDRIDE GROUPS SUMITOMO BAKELITE CO (JP) 2003-05-28 EP disclosed
US-6528598-B1 E Ni(C6F5)2 and E represents a neutral electron donor; (toluene)bis(perfluorophenyl) nickel; SUMITOMO BAKELITE CO., LTD. (JP) 2003-03-04 US disclosed
US-6525153-B1 Photoresists; sensitizing photoacid initiator to longer wavelengths photolithography SUMITOMO BAKELITE CO., LTD. (JP) 2003-02-25 US disclosed
EP-1163282-A1 PROCESSES FOR MAKING POLYMERS CONTAINING PENDANT CYCLIC ANHYDRIDE GROUPS The B.F. Goodrich Company (US) 2001-12-19 EP disclosed
CN-1269810-A Photoresist compositions comprising polycyclic polymers with acid labile pendant groups GOODRICH CO B F (US) 2000-10-11 CN disclosed
WO-2000053657-A1 PROCESSES FOR MAKING POLYMERS CONTAINING PENDANT CYCLIC ANHYDRIDE GROUPS THE B.F. GOODRICH COMPANY (US) 2000-09-14 WO disclosed
WO-2000053658-A1 POLYCYCLIC POLYMERS CONTAINING PENDANT CYCLIC ANHYDRIDE GROUPS THE B.F. GOODRICH COMPANY (US) 2000-09-14 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 (2 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-20150291634-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF SAMM50, NTRK1, PNMT ALDH1A1 816/4885MAPT 1460/4885KDM4E 3731/4885
US-20160264498-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY NORBORNENE ALKANOLS AND DERIVATIVES THEREOF SAMM50, NTRK1, PNMT ALDH1A1 816/4885MAPT 1460/4885KDM4E 3731/4885

“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.