SCHEMBL6731992

SCHEMBL6731992

O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.48
CASP1 P29466 1/20 0.32

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
Bicarbonate SCHEMBL1462424 0.97 CA4 (0.46) CA4CASP1
SCHEMBL11206186 0.94 CA4 (0.48) CA4CASP1
SCHEMBL9705608 0.94 CA4 (0.55) CA4CASP1
SCHEMBL6000149 0.94 CA4 (0.55) CA4CASP1
Silver SCHEMBL3692335 0.94 CA4 (0.48) CA4CASP1
Potassium Ion SCHEMBL17770566 0.94 CA4 (0.48) CA4CASP1
SCHEMBL11350148 0.94 CA4 (0.48) CA4CASP1
Silver SCHEMBL3792176 0.92 CA4 (0.46) CA4CASP1
Ammonia Solution, Strong SCHEMBL7262314 0.92 CA4 (0.52) CA4CASP1
Silver SCHEMBL3793385 0.92 CA4 (0.52) CA4CASP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6682767-B2 REDUCING ACID CONCENTRATION IN FRUIT JUICE TROPICANA PRODUCTS, INC. 2004-01-27 US claimed
EP-3673926-B1 SEMI-SYNTHETIC POWDERY MATERIAL OBTAINED BY MODIFYING THE COMPOSITION OF A NATURAL MARINE BIOMATERIAL, METHOD FOR MANUFACTURING SAME, USES THEREOF MBP MAURITIUS LTD (MU) 2022-07-06 EP disclosed
EP-3673924-B1 SEMI-SYNTHETIC POWDERY MATERIAL OBTAINED BY MODIFYING THE COMPOSITION OF A NATURAL MARINE BIOMATERIAL, METHOD FOR MANUFACTURING SAME, USES THEREOF MBP MAURITIUS LTD (MU) 2022-06-29 EP disclosed
CN-114642647-A Liquid calcium soft capsule and preparation method thereof 江苏雅博动物健康科技有限责任公司 2022-06-21 CN disclosed
CN-108217708-A A kind of methods and applications that nano biological calcium carbonate is prepared using waste shell as raw material 五邑大学 2018-06-29 CN disclosed
CN-106820158-A Calcium can be drawn to the marrow and multiple agent and preparation method thereof of replenishing the calcium of bone calcium loss is prevented 江苏天美健大自然生物工程有限公司 2017-06-13 CN disclosed
CN-103961688-B A kind of eggshell source compound lemon acid Biocal and preparation method thereof HUBEI SHENDI AGRICULTURAL TRADE CO., LTD. (CN) 2016-05-25 CN disclosed
CN-101209110-A Method for preparing organic calcium from meretrix meretrix shell and mussel shell UNIV NINGBO (CN) 2008-07-02 CN disclosed