Butylate

Butylate

SCHEMBL1986203

CCSC(=O)N(CC(C)C)CC(C)C.[KH]

nearest known ligand 0.54

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CA1 P00915 5/20 0.45
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
ALDH1A1 P00352 2/20 0.36
MLYCD O95822 2/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
FPR1 P21462 1/20 0.30
HSD17B10 Q99714 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
Butylate SCHEMBL10399541 0.98 TSHR (0.56) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL66484 0.98 TSHR (0.56) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL8539930 0.98 TSHR (0.56) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL10487947 0.96 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL787504 0.96 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL10626195 0.96 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL7778213 0.96 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL3915229 0.96 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL11689530 0.96 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL10487951 0.96 TSHR (0.59) TSHRMAPK1CA1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159429-B Preparation method of bis (2,4, 6-trimethylbenzoyl) phenylphosphine oxide 天津久日新材料股份有限公司 2022-06-21 CN claimed
CN-112175005-A Application of activator in reduction reaction of phenyl phosphine dichloride 天津久日新材料股份有限公司 2021-01-05 CN claimed
CN-112159429-A Preparation method of bis (2,4, 6-trimethylbenzoyl) phenylphosphine oxide 天津久日新材料股份有限公司 2021-01-01 CN claimed
CN-112094296-A Preparation method of bis (2,4, 6-trimethylbenzoyl) phenylphosphine oxide 山东久日化学科技有限公司 2020-12-18 CN claimed
EP-1355914-A4 PREPARATION OF ALIPHATIC ACID ESTER OF CARBOHYDRATE JO IN-HO (KR) 2005-05-04 EP claimed
US-20040063928-A1 Generating fatty acid esters of sugars for use in food, pharmeceutical and cosmetics processing through ester-interchange, emulsification, dehydration and transesterification JO IN-HO (KR) 2004-04-01 US claimed
EP-1098868-B1 METHOD FOR PREPARING ALCOXYLATED CARBOXYLIC ACID ESTERS COGNIS DEUTSCHLAND GMBH (DE) 2004-02-25 EP claimed
EP-1355914-A1 PREPARATION OF ALIPHATIC ACID ESTER OF CARBOHYDRATE Jo, In-Ho (KR) 2003-10-29 EP claimed
WO-2002057282-A1 PREPARATION OF ALIPHATIC ACID ESTER OF CARBOHYDRATE JO IN-HO (KR) 2002-07-25 WO claimed
US-5581007-A Process for preparing optically active allophenylnorstatin derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-12-03 US claimed
EP-0729939-A2 Process for preparing optically active allophenylnorstatin derivatives, and intermediates for use therein Takasago International Corporation (JP) 1996-09-04 EP claimed
US-5412146-A Reaction of cyanoacetic acid ester with lactic acid ester using alcoholate catalyst HUELS AKTIENGESELLSCHAFT (DE) 1995-05-02 US claimed
EP-0402063-B1 Alpha-(omega-cyanoalkanoyl)-gamma-butyrolactone and method for producing the same UBE INDUSTRIES (JP) 1994-09-21 EP claimed
US-5242995-A Perfluorocarbon-grafted polyurethane with improved blood compatibility and process for their preparation KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-09-07 US claimed
US-5099036-A Reaction of butyrolactone with cyano fatty acid ester in the persence of alkali metal alcoholate UBE INDUSTRIES, LTD. (JP) 1992-03-24 US claimed
EP-0402063-A2 Alpha-(omega-cyanoalkanoyl)-gamma-butyrolactone and method for producing the same UBE INDUSTRIES, LTD. (JP) 1990-12-12 EP claimed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US claimed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP claimed
US-4455415-A POLYSILOXANES BY REACTING A PRIMARY AMINE AND HALOORGANOTRIALKOXYSILANE, BASIFYING AND POLYMERIZING WITH WATER DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-06-19 US claimed
US-3975328-A Method for manufacture of polymer having different stereospecific structures at desired ratio from vinyl monomers AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JA) 1976-08-17 US claimed