Sugi Predict

Sugi Predict / Compounds / Nonylacetate

Nonylacetate

Nonylacetate

SCHEMBL7637665

CCCCCCCCCOC(C)=O.Oc1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ TSHR P16473 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ MAPK1 P28482 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ PPARG P37231 3/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NR1H2 P55055 1/20 0.50
▸ RNASEL Q05823 1/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ NR5A1 Q13285 1/20 0.50
▸ NPC1 O15118 2/20 0.49

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
Hexyl Acetate SCHEMBL28152574 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMAPK1CYP3A4
Nonylacetate SCHEMBL14152759 0.98 ALDH1A1 (0.57) ALDH1A1TSHRLMNAMAPK1CYP3A4
Acetic Acid Butyl Ester SCHEMBL27483284 0.93 ALDH1A1 (0.64) ALDH1A1TSHRLMNAMAPK1CYP3A4
Acetic Acid Butyl Ester SCHEMBL28219232 0.93 ALDH1A1 (0.64) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phenol SCHEMBL729688 0.88 TSHR (0.60) ALDH1A1TSHRLMNAMAPK1CYP3A4
Nonylacetate SCHEMBL27709810 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
Heptylacetate SCHEMBL28774439 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
Hexyl Acetate SCHEMBL27730086 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
Acetic Acid Hexadecyl Ester SCHEMBL28770257 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
Octyl Acetate SCHEMBL27730087 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4

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
US-5191104-A Complex catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-02 — — US claimed
EP-0478074-A2 Alkoxylation of carboxylated compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-01 — — EP claimed
US-10975216-B2 Compositions comprising Z-1,1,1,4,4,4-hexafluoro-2-butene and uses thereof THE CHEMOURS COMPANY FC, LLC (US) 2021-04-13 — — US disclosed
US-20180002506-A1 COMPOSITIONS COMPRISING Z-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE AND USES THEREOF THE CHEMOURS COMPANY FC, LLC 2018-01-04 — — US disclosed
US-20120313035-A1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INTERNATIONAL INC. (US) 2012-12-13 — — US disclosed
US-6342635-B1 HEATING PHENOLIC ESTER WITH LEWIS ACID AND CARBOXY HALIDE OR ANHYDRIDE TO OBTAIN KETONE BY FRIES REARRANGEMENT, ISOLATION KETONE AND REACTING HYDROXYLAMINE TO PRODUCE KETOXIMINE HENKEL CORPORATION 2002-01-29 — — US disclosed
US-6261526-B1 ADDING HYDROXIDE AND ACID FOR NICKEL RECOVERING HENKEL CORPORATION 2001-07-17 — — US disclosed
EP-0755421-B1 SYNERGISTIC PAINT REMOVING COMPOSITION EQUIP INT INC (CA) 1998-08-12 — — EP disclosed
EP-0755421-A1 SYNERGISTIC PAINT REMOVING COMPOSITION E.Q.U.I.P. INTERNATIONAL INC. (CA) 1997-01-29 — — EP disclosed
WO-1995027757-A1 SYNERGISTIC PAINT REMOVING COMPOSITION E.QU.I.P. INTERNATIONAL INC. (CA) 1995-10-19 — — WO disclosed
US-5191104-A Complex catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-03-02 — — US disclosed
EP-0478074-A2 Alkoxylation of carboxylated compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-04-01 — — EP disclosed