SCHEMBL2793471

SCHEMBL2793471

O=C(O)CC(CC(=O)O)(OC(=O)/C=C\C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)C(=O)O.[CaH2].[CaH2]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ACLY P53396 2/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL2971818 1.00 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL28323653 0.98 ALDH1A1 (0.37) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL3245949 0.98 ALDH1A1 (0.37) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL9066054 0.96 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL27092915 0.96 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL12500512 0.96 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL3245946 0.92 HCAR2 (0.41) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL5177120 0.83 ALDH1A1 (0.36) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Maleic Acid SCHEMBL8324326 0.81 HCAR2 (0.33) HCAR2
SCHEMBL9878914 0.81 ALDH1A1 (0.35) ALDH1A1CYP2D6TSHRCYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801907-B2 Film-coated and/or granulated calcium-containing compounds and use therof in pharmaceutical compositions TAKEDA AS (NO) 2017-10-31 US claimed
CN-103550178-B Comprise the microgranule of calcium containing compound and sugar alcohol TAKEDA NYCOMED CO., LTD. (NO) 2016-03-30 CN claimed
US-20150050353-A1 FILM-COATED AND/OR GRANULATED CALCIUM-CONTAINING COMPOUNDS AND USE THEROF IN PHARMACEUTICAL COMPOSITIONS TAKEDA AS (NO) 2015-02-19 US claimed
US-8906411-B2 Pre-compacted calcium-containing compositions TAKEDA NYCOMED AS (NO) 2014-12-09 US claimed
EP-1753403-B1 PARTICULATE COMPRISING A CALCIUM-CONTAINING COMPOUND AND A SUGAR ALCOHOL TAKEDA NYCOMED AS (NO) 2014-08-13 EP claimed
EP-2436378-B1 Film-coated and/or granulated calcium-containing compounds and use thereof in pharmaceutical compositions TAKEDA NYCOMED AS (NO) 2014-08-06 EP claimed
EP-1962807-B1 FILM-COATED AND/OR GRANULATED CALCIUM-CONTAINING COMPOUNDS AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS TAKEDA NYCOMED AS (NO) 2014-08-06 EP claimed
WO-2013114390-A1 GASTRO RETENTIVE DRUG DELIVERY SYSTEM OF CALCIUM SUPPLEMENTS MEDREICH LIMITED (IN) 2013-08-08 WO claimed
US-20120195981-A1 MICRONUTRIENT SUPPLEMENT WITH CALCIUM, VITAMIN D OR CALCIUM & VITAMIN D COMBINATION FOR PREMENSTRUAL SYNDROME, POSTPARTUM DEPRESSION, DEPRESSION AND PANIC ATTACKS THYS-JACOBS SUSAN (US) 2012-08-02 US claimed
EP-1962806-B1 PRE-COMPACTED CALCIUM-CONTAINING COMPOSITIONS NYCOMED PHARMA AS (NO) 2010-09-01 EP claimed
US-20070098819-A1 Micronutrient supplement with calcium, vitamin D or calcium & vitamin D combination for premenstrual syndrome, postpartum depression, depression and panic attacks THYS-JACOBS SUSAN 2007-05-03 US claimed
EP-1753403-A1 PARTICULATE COMPRISING A CALCIUM-CONTAINING COMPOUND AND A SUGAR ALCOHOL Nycomed Danmark ApS (DK) 2007-02-21 EP claimed
EP-1648411-A2 PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP claimed
WO-2005115342-A1 PARTICULATE COMPRISING A CALCIUM-CONTAINING COMPOUND AND A SUGAR ALCOHOL NYCOMED PHARMA AS (NO) 2005-12-08 WO claimed
US-20050202084-A1 Pharmaceutical compositions SMITHKLINE BEECHAM CORPORATION 2005-09-15 US claimed
WO-2005007105-A2 PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO claimed
US-6838431-B2 Nutritional intervention composition containing a source of proteinase inhibitor extending post meal satiety PACIFIC HEALTH LABORATORIES, INC. 2005-01-04 US claimed
WO-2003013270-A2 CALCIUM DIETARY SUPPLEMENT RHODIA INC. (US) 2003-02-20 WO claimed
US-20030031726-A1 Calcium dietary supplement ROYAL BANK OF CANADA, AS COLLATERAL AGENT (CA) 2003-02-13 US claimed
US-20020119915-A1 Nutritional intervention composition containing a source of proteinase inhibitor extending post meal satiety ANAYA PERSONAL CARE PRODUCTS LLC 2002-08-29 US claimed