SCHEMBL2576228

SCHEMBL2576228

O=C(O)CC(O)(CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O.[KH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
SLC13A5 Q86YT5 6/20 0.40
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
ACLY P53396 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
CPT2 P23786 1/20 0.34
GMNN O75496 1/20 0.33

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
SCHEMBL27764415 1.00 ALDH1A1 (0.68) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL28158130 0.98 ALDH1A1 (0.65) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL27588804 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL144692 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL934375 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL27572383 0.98 ALDH1A1 (0.71) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL9325416 0.95 ALDH1A1 (0.68) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
Water SCHEMBL2233951 0.95 ALDH1A1 (0.68) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL21067072 0.95 ALDH1A1 (0.68) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R
SCHEMBL544775 0.95 ALDH1A1 (0.68) ALDH1A1SLC13A5HMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1218106-A Liquid soap LI YANSONG (CN) 1999-06-02 CN claimed
US-12208365-B2 Gene chip and method of preparing the same BGI SHENZHEN (CN) 2025-01-28 US disclosed
EP-3839060-B1 GENE CHIP AND PREPARATION METHOD THEREFOR BGI SHENZHEN (CN) 2022-10-12 EP disclosed
EP-3839060-A1 GENE CHIP AND PREPARATION METHOD THEREFOR BGI Shenzhen (CN) 2021-06-23 EP disclosed
US-20210162365-A1 GENE CHIP AND METHOD OF PREPARING THE SAME BGI SHENZHEN (CN) 2021-06-03 US disclosed
US-20180008165-A1 ELECTRODE SENSOR KIT, ELECTRODE ASSEMBLY, AND TOPICAL PREPARATION FOR ESTABLISHING ELECTRICAL CONTACT WITH SKIN, USE THEREOF, AND METHOD OF ELECTRO-IMPEDANCE TOMOGRAPHY (EIT) IMAGING USING THESE SWISSTOM AG (CH) 2018-01-11 US disclosed
US-9440063-B2 Methods for reducing discomfort during electrostimulation, and compositions and apparatus therefor RESEARCH FOUNDATION OD THE CITY UNIVERSITY OF NEW YORK (US) 2016-09-13 US disclosed
EP-2993990-A1 BEVERAGES CONTAINING RARE SUGARS The Coca-Cola Company (US) 2016-03-16 EP disclosed
EP-2717768-B1 ELECTRODE SENSOR KIT AND ELECTRODE SENSOR ASSEMBLY FOR ESTABLISHING ELECTRICAL CONTACT WITH SKIN FOR ELECTRO-IMPEDANCE TOMOGRAPHY (EIT) IMAGING SWISSTOM AG (CH) 2015-10-14 EP disclosed
WO-2014152791-A1 BEVERAGES CONTAINING RARE SUGARS THE COCA-COLA COMPANY (US) 2014-09-25 WO disclosed
WO-2010078441-A2 METHODS FOR REDUCING DISCOMFORT DURING ELECTROSTIMULATION, AND COMPOSITIONS AND APPARATUS THEREFOR RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2010-07-08 WO disclosed
CN-101146520-A Delayed release formulations of 6-mercaptopurine TEVA PHARMA (IL) 2008-03-19 CN disclosed
CN-101065114-A Imroved formulations of 6-mercaptopurine TEVA PHARMA (IL) 2007-10-31 CN disclosed
US-7078058-B2 Corticosteroid-containing pharmaceutical composition CONNETICS AUSTRALIA PTY LTD (AU) 2006-07-18 US disclosed
US-20030118511-A1 Corticosteroid-containing pharmaceutical composition MEDEVA EUROPE PLC (GB) 2003-06-26 US disclosed
CN-1218106-A Liquid soap LI YANSONG (CN) 1999-06-02 CN disclosed
EP-0574404-A1 PSYLLIUM AND CHOLESTYRAMINE COMPOSITIONS WITH IMPROVED PALATABILITY THE PROCTER & GAMBLE COMPANY (US) 1993-12-22 EP disclosed
WO-1992011019-A1 PSYLLIUM AND CHOLESTYRAMINE COMPOSITIONS WITH IMPROVED PALATABILITY THE PROCTER & GAMBLE COMPANY (US) 1992-07-09 WO disclosed
US-4627987-A Edible material containing meta-hydroxybenzoic or salts GENERAL FOODS CORPORATION (US) 1986-12-09 US disclosed
US-4613512-A ARTIFICIAL SWEETENER GENERAL FOODS CORPORATION (US) 1986-09-23 US disclosed