SCHEMBL126363

SCHEMBL126363

CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CCO

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.72
ALDH1A1 P00352 1/20 0.68
TP53 P04637 1/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX15 P16050 1/20 0.68
TSHR P16473 1/20 0.68
ALOX12 P18054 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HIF1A Q16665 1/20 0.68
HSD17B10 Q99714 1/20 0.68
SLC22A2 O15244 1/20 0.67
DNM1 Q05193 6/20 0.65

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
SCHEMBL28463619 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL2142346 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL32672709 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7153886 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL3402773 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6142415 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL7717010 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL8953083 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL6141878 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL9278591 1.00 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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

Appears in 3694 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481787-B1 HALOGEN-FREE QUATERNARY AMINIES AND USES THEREOF HUNTSMAN PETROCHEMICAL LLC (US) 2024-02-28 EP claimed
US-11542199-B2 Halogen-free quaternary amines and uses thereof HUNTSMAN PETROCHEMICAL LLC (US) 2023-01-03 US claimed
CN-108698927-B Halogen-free quaternary amines and their use 亨斯迈石油化学有限责任公司 2022-08-09 CN claimed
US-20210292552-A1 Functionalized Polyacrylate Polymer Compositions HUNTSMAN INTERNATIONAL LLC 2021-09-23 US claimed
US-10945960-B2 Celecoxib and amlodipine formulation and method of making the same DEXCEL LTD. (IL) 2021-03-16 US claimed
US-10925835-B2 Celecoxib and amlodipine formulation and method of making the same DEXCEL LTD. (IL) 2021-02-23 US claimed
US-20200390713-A1 CELECOXIB AND AMLODIPINE FORMULATION AND METHOD OF MAKING THE SAME PURPLE BIOTECH LTD (IL) 2020-12-17 US claimed
CN-111065382-A Formula of celecoxib and amlodipine and preparation method thereof 德西尔公司 2020-04-24 CN claimed
US-20200093128-A1 ACIDULATED SURFACTANT COMPOSITIONS AND METHODS OF REDUCING MICROBIAL LOAD THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2020-03-26 US claimed
EP-3548446-A1 FUNCTIONALIZED POLYACRYLATE POLYMER COMPOSITIONS Huntsman International LLC (US) 2019-10-09 EP claimed
WO-2019008583-A1 CELECOXIB AND AMLODIPINE FORMULATION AND METHOD OF MAKING THE SAME DEXCEL LTD. (IL) 2019-01-10 WO claimed
WO-2018009386-A1 HALOGEN-FREE QUATERNARY AMINIES AND USES THEREOF HUNTSMAN PETROCHEMICAL LLC (US) 2018-01-11 WO claimed
US-20110166225-A1 ORAL LIQUID COMPOSITIONS OF RHEIN OR DIACEREIN VERMA HIMANSHU 2011-07-07 US claimed
EP-2280697-A1 ORAL LIQUID COMPOSITIONS OF RHEIN OR DIACEREIN Wockhardt Research Centre (IN) 2011-02-09 EP claimed
WO-2009133430-A1 TOPICAL COMPOSITIONS OF RHEIN OR DIACEREIN WOCKHARDT RESEARCH CENTRE (IN) 2009-11-05 WO claimed
WO-2009133431-A1 ORAL LIQUID COMPOSITIONS OF RHEIN OR DIACEREIN WOCKHARDT RESEARCH CENTRE (IN) 2009-11-05 WO claimed
EP-1105086-B1 A COMPOSITION FOR LIGHTENING AND HIGHLIGHTING HAIR UNILEVER PLC (GB) 2004-06-16 EP claimed
US-6274663-B1 INTERCALATION COMPOUND IN THERMOPLASTIC RESIN SHOWA DENKO K.K. (JP) 2001-08-14 US claimed
US-4859458-A Hair conditioning polymers containing alkoxylated nitrogen salts of sulfonic acid MORTON THIOKOL, INC. (US) 1989-08-22 US claimed
EP-0034126-B1 COSMETIC AND DERMATOLOGICAL COMPOSITIONS FOR SHAVING THE SKIN Maggesi, Luigi (IT) 1984-07-04 EP claimed