Acetic Acid Methyl Ester

Acetic Acid Methyl Ester

SCHEMBL7958739

COC(C)=O.c1cc[nH]c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 6/20 0.35
HSD17B10 Q99714 3/20 0.33
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SRC P12931 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
Pyrrole SCHEMBL22498567 0.83 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10LMNA
Pyrrole SCHEMBL27698174 0.83 TSHR (0.37) ALDH1A1MGAMGAASIMGAM2
Pyrrole SCHEMBL9400676 0.83 TSHR (0.35) ALDH1A1MGAMGAASIMGAM2
Pyrrole SCHEMBL3807182 0.82
Pyrrole SCHEMBL311019 0.79
Acetic Acid SCHEMBL27669193 0.79 FFAR3 (0.47) ALDH1A1TSHRHSD17B10LMNA
Benzene SCHEMBL2869929 0.78 ALDH1A1 (0.77) ALDH1A1MGAMGAASIMGAM2
Pyrrole SCHEMBL28065784 0.77 FFAR3 (0.44) ALDH1A1LMNA
Pyrrole SCHEMBL9980539 0.77
Benzene SCHEMBL27466044 0.76 ALDH1A1 (0.71) ALDH1A1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113023678-B Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2022-03-18 CN claimed
CN-113023679-A Oxygen generation device of medical high-temperature molecular sieve membrane adsorption tower and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN claimed
CN-113023678-A Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN claimed
CN-113023679-B Oxygen generation device of medical high-temperature molecular sieve membrane adsorption tower and use method thereof 湖南万脉医疗科技有限公司 2022-07-01 CN disclosed
CN-113023678-B Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2022-03-18 CN disclosed
CN-113023678-A Oxygen generation device of high-temperature carbonized ceramic-based molecular sieve membrane and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN disclosed
CN-113023679-A Oxygen generation device of medical high-temperature molecular sieve membrane adsorption tower and use method thereof 湖南万脉医疗科技有限公司 2021-06-25 CN disclosed
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
EP-0778835-A4 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIV VIRGINIA (US) 1999-02-03 EP disclosed
EP-0778835-A1 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1997-06-18 EP disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 WO disclosed