Butoxylate

Butoxylate

SCHEMBL3940424

CCCCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.CCO

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Butoxylate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.79
OPRM1 P35372 3/20 0.79
CCR1 P32246 4/20 0.53
GAA P10253 1/20 0.51
OPRD1 P41143 2/20 0.49
OPRK1 P41145 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
Butoxylate SCHEMBL241324 0.98 KCNA3 (0.82) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL23852174 0.98 KCNA3 (0.82) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL8976430 0.97 KCNA3 (0.80) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL21708440 0.97 KCNA3 (0.80) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL1748460 0.97 KCNA3 (0.80) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL3791589 0.95 KCNA3 (0.75) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL15862494 0.95 KCNA3 (0.74) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL8421013 0.95 KCNA3 (0.74) KCNA3OPRM1CCR1GAAOPRD1
Butoxylate SCHEMBL18249372 0.95 KCNA3 (0.74) KCNA3OPRM1CCR1GAA
Butoxylate SCHEMBL6257331 0.95 KCNA3 (0.74) KCNA3OPRM1CCR1GAAOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220126619-A1 THERMAL TRANSFER SHEET DAI NIPPON PRINTING CO., LTD. (JP) 2022-04-28 US claimed
EP-3932667-A1 THERMAL TRANSFER SHEET Dai Nippon Printing Co., Ltd. (JP) 2022-01-05 EP claimed
US-20160130527-A9 Dilutable cleaning compositions and methods for use RHODIA OPERATIONS (US) 2016-05-12 US claimed
EP-2643447-A2 DILUTABLE CLEANING COMPOSITIONS AND METHODS FOR USE Rhodia Operations (FR) 2013-10-02 EP claimed
WO-2012071059-A2 DILUTABLE CLEANING COMPOSITIONS AND METHODS FOR USE RHODIA OPERATIONS (FR) 2012-05-31 WO claimed
US-20120129756-A1 Dilutable cleaning compositions and methods for use RHODIA OPERATIONS (US) 2012-05-24 US claimed
CN-118043435-A Fuel composition 国际壳牌研究有限公司 2024-05-14 CN disclosed
CN-117500900-A Novel gasoline additive package 巴斯夫欧洲公司 2024-02-02 CN disclosed
CN-117222725-A fuel composition 国际壳牌研究有限公司 2023-12-12 CN disclosed
CN-117178047-A fuel composition 国际壳牌研究有限公司 2023-12-05 CN disclosed
CN-114502699-B Method for reducing intake valve deposits 国际壳牌研究有限公司 2023-10-31 CN disclosed
CN-116829684-A Branched primary alkylamines as additives for gasoline fuels 巴斯夫欧洲公司 2023-09-29 CN disclosed
WO-2023156427-A1 DISHWASHING DETERGENT COMPOSITION RECKITT BENCKISER FINISH B.V. (NL) 2023-08-24 WO disclosed
US-20120149626-A1 Dibasic esters utilized as terpene co-solvents, substitutes and/or carriers in tar sand/bitumen/asphaltene cleaning applications RHODIA OPERATIONS (US) 2012-06-14 US disclosed
WO-2012078193-A2 DIBASIC ESTERS UTILIZED AS TERPENE CO-SOLVENTS, SUBSTITUTES AND/OR CARRIERS IN TAR SAND/BITUMEN/ASPHALTENE CLEANING APPLICATIONS RHODIA OPERATIONS (FR) 2012-06-14 WO disclosed
WO-2012071059-A2 DILUTABLE CLEANING COMPOSITIONS AND METHODS FOR USE RHODIA OPERATIONS (FR) 2012-05-31 WO disclosed
US-20120129756-A1 Dilutable cleaning compositions and methods for use RHODIA OPERATIONS (US) 2012-05-24 US disclosed
US-7601185-B2 Fuel additive mixtures for gasolines with synergistic IVD performance BASF AKTIENGESELLSCHAFT (DE) 2009-10-13 US disclosed
US-20050155280-A1 Fuel additive mixtures for gasolines with synergistic ivd performance BASF AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
US-5298039-A Fuels for gasoline engines BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed