Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL4585817

CCCCCOC(C)=O.CCCCOC(C)=O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.90
NAAA Q02083 1/20 0.58
TSHR P16473 6/20 0.57
ATM Q13315 1/20 0.54
EPHX1 P07099 1/20 0.54
HCAR2 Q8TDS4 2/20 0.50
CES2 O00748 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
RAD52 P43351 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
FAAH O00519 1/20 0.47

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
Acetic Acid Butyl Ester SCHEMBL1577486 0.97 ALDH1A1 (0.95) ALDH1A1NAAATSHRATMEPHX1
Acetic Acid Pentyl Ester SCHEMBL10663 0.97
Acetic Acid Pentyl Ester SCHEMBL8583803 0.97 ALDH1A1 (0.85) ALDH1A1NAAATSHRATMEPHX1
Nonylacetate SCHEMBL309051 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1HCAR2
SCHEMBL131668 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1HCAR2
Octyl Acetate SCHEMBL4344544 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1HCAR2
Tridecylacetate SCHEMBL157239 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1HCAR2
Acetic Acid Pentyl Ester SCHEMBL8007294 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHRATMEPHX1
Decylacetate SCHEMBL155855 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHREPHX1HCAR2
Acetic Acid Pentyl Ester SCHEMBL6653404 0.95 ALDH1A1 (0.81) ALDH1A1NAAATSHRATMEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117923503-A Hollow structure silicon dioxide dispersion liquid with aldehyde groups grafted on inner and outer surfaces and preparation method thereof 山东国瓷功能材料股份有限公司 2024-04-26 CN claimed
EP-3099666-B1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE VERTELLUS HOLDINGS LLC (US) 2018-12-12 EP claimed
US-9850208-B2 Process for making 2-chloro-5-methylpyridine VERTELLUS HOLDINGS LLC (US) 2017-12-26 US claimed
US-20170008846-A1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE VERTELLUS SPECIALTIES INC. (US) 2017-01-12 US claimed
EP-3099666-A1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE Vertellus Specialties Inc. (US) 2016-12-07 EP claimed
WO-2015113043-A1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE VERTELLUS SPECIALTIES INC. (US) 2015-07-30 WO claimed
US-20080234491-A1 PROCESS FOR PREPARATION OF CELECOXIB DR. REDDY'S LABORATORIES LIMITED (IN) 2008-09-25 US claimed
CN-117923503-A Hollow structure silicon dioxide dispersion liquid with aldehyde groups grafted on inner and outer surfaces and preparation method thereof 山东国瓷功能材料股份有限公司 2024-04-26 CN disclosed
WO-2023212300-A1 METHOD AND COMPOSITION OF SYNERGISTIC HERBICIDAL MIXTURES PRO FARM GROUP, INC. (US) 2023-11-02 WO disclosed
WO-2019181954-A1 POLYMERIZABLE COMPOUND, PHOTOCURABLE POLYMER, INSULATING FILM, PROTECTIVE FILM, AND ORGANIC TRANSISTOR DEVICE 東ソー株式会社 2019-09-26 WO disclosed
EP-3099666-B1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE VERTELLUS HOLDINGS LLC (US) 2018-12-12 EP disclosed
US-9850208-B2 Process for making 2-chloro-5-methylpyridine VERTELLUS HOLDINGS LLC (US) 2017-12-26 US disclosed
US-20170008846-A1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE VERTELLUS SPECIALTIES INC. (US) 2017-01-12 US disclosed
EP-3099666-A1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE Vertellus Specialties Inc. (US) 2016-12-07 EP disclosed
WO-2015113043-A1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE VERTELLUS SPECIALTIES INC. (US) 2015-07-30 WO disclosed
US-5177169-A Method for recovering and using lignin in adhesive resins COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1993-01-05 US disclosed
US-5026808-A Method for recovering and using lignin in adhesive resins by extracting demethylated lignin COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1991-06-25 US disclosed
US-5021531-A Method for recovering and using lignin in adhesive resins by extracting demethylated lignin COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1991-06-04 US 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-20170008846-A1 PROCESS FOR MAKING 2-CHLORO-5-METHYLPYRIDINE MTAP, DPYD, TPMT ALDH1A1 1524/4885NAAA 1293/4885TSHR 4204/4885
US-20080234491-A1 PROCESS FOR PREPARATION OF CELECOXIB CYP2E1, PTGS1, CYP4A11 ALDH1A1 1181/4885NAAA 3765/4885TSHR 4182/4885

“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.