SCHEMBL1286476

SCHEMBL1286476

C=CCC(CO)N(CCO)CCO

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hypochlorous Acid SCHEMBL28319310 0.96
Sulfuric Acid SCHEMBL6419257 0.90
SCHEMBL28064676 0.88
SCHEMBL27978543 0.87 FAAH (0.31)
Water SCHEMBL27342935 0.86
SCHEMBL27489989 0.86 FAAH (0.33)
SCHEMBL11270165 0.79
SCHEMBL3415631 0.77 MAPT (0.35)
SCHEMBL10659592 0.72 TSHR (0.33)
SCHEMBL1274213 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1414834-A Compositions comprising edible oils or fats and phytosterols and/or phytostanols substantially dissolved therein FORBES MEDI TECH INC (CA) 2003-04-30 CN claimed
JP-2003512850-A 2003-04-08 JP claimed
EP-1227734-A2 COMPOSITIONS COMPRISING EDIBLE OILS OR FATS AND PHYTOSTEROLS AND/OR PHYTOSTANOLS SUBSTANTIALLY DISSOLVED THEREIN Forbes Medi-Tech Inc. (CA) 2002-08-07 EP claimed
WO-2001032029-A2 COMPOSITIONS COMPRISING EDIBLE OILS OR FATS AND PHYTOSTEROLS AND/OR PHYTOSTANOLS SUBSTANTIALLY DISSOLVED THEREIN FORBES MEDI-TECH INC. (CA) 2001-05-10 WO claimed
US-10471024-B2 Increased effectiveness of allylamine drug compounds for topical treatment of fungal infections of the skin and skin appendages BIOPHILE CORPORATION, LTD. (TH) 2019-11-12 US disclosed
CN-110269886-A A kind of Medical antiseptic solution and preparation method thereof 王艳红 2019-09-24 CN disclosed
EP-2526928-B1 Increased effectiveness of allylamine drug compounds BIOPHILE CORP LTD (TH) 2018-12-26 EP disclosed
CN-107624122-A Cationic compound and its purposes as antifungal agent and antimicrobial 克里布鲁克股份有限公司 2018-01-23 CN disclosed
US-20170119700-A1 INCREASED EFFECTIVENESS OF ALLYLAMINE DRUG COMPOUNDS FOR TOPICAL TREATMENT OF FUNGAL INFECTIONS OF THE SKIN AND SKIN APPENDAGES BIOPHILE CORP LTD (TH) 2017-05-04 US disclosed
US-20160106845-A1 INCREASED EFFECTIVENESS OF ALLYLAMINE DRUG COMPOUNDS FOR TOPICAL TREATMENT OF FUNGAL INFECTIONS OF THE SKIN AND SKIN APPENDAGES BIOPHILE CORP LTD (TH) 2016-04-21 US disclosed
US-9216159-B2 Increased effectiveness of allylamine drug compounds for topical treatment of fungal infections of the skin and skin appendages BIOPHILE CORPORATION, LTD. (TH) 2015-12-22 US disclosed
CN-105125529-A Increased effectiveness of allylamine drug compounds SUVANPRAKORN PICHIT TH 2015-12-09 CN disclosed
CN-1212630-A Method for treating contact lenses with aqueous solution containing phosphonic acid compound and aqueous solution BAUSCH & LOMB (US) 1999-03-31 CN disclosed
US-4971784-A DETERGENTS, ANTISEPTICS, BACTERICIDES, FUNGICIDES WELLA AKTIENGESELLSCHAFT (DE) 1990-11-20 US disclosed
US-4820352-A WITH JEFFAMINES AND A GERMICIDE BAUSCH & LOMB INCORPORATED (US) 1989-04-11 US disclosed
EP-0115619-B1 IMPROVED CLEANING AND CONDITIONING SOLUTIONS FOR CONTACT LENSES AND METHODS OF USE BAUSCH &amp; LOMB INCORPORATED (US) 1986-10-15 EP disclosed
EP-0092755-B1 BIS ALKYL BIS(TRIALKANOLAMINE)ZIRCONATES KAY-FRIES, Inc. (US) 1986-07-09 EP disclosed
US-4578488-A Bisalkyl bis(trialkanol amine)zirconates and use of same as thickening agents for aqueous polysaccharide solutions KAY-FRIES, INC. (US) 1986-03-25 US disclosed
EP-0115619-A1 Improved cleaning and conditioning solutions for contact lenses and methods of use BAUSCH &amp; LOMB INCORPORATED (US) 1984-08-15 EP disclosed
EP-0092755-A1 Bis alkyl bis(trialkanolamine)zirconates KAY-FRIES, Inc. (US) 1983-11-02 EP disclosed