SCHEMBL2178222

SCHEMBL2178222

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CPT2 P23786 1/20 0.34
ACLY P53396 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TP53 P04637 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
SCHEMBL2971627 1.00 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL23925310 0.98 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1ACPT2
Water SCHEMBL8752318 0.98 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL653302 0.98 CYP2C19 (0.37) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL9387459 0.96 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL28501051 0.96 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL28463865 0.96 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL28415458 0.96 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2
SCHEMBL20521418 0.96 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2
Ammonia Solution, Strong SCHEMBL5048410 0.96 CYP2D6 (0.35) CYP2D6TSHRCYP2C19HIF1ACPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117717154-A Formula of fruit juice embedded beads and preparation method thereof 浙江真至味食品有限公司 2024-03-19 CN disclosed
CN-111278378-B Calcium electroporation delivery device 波士顿科学国际有限公司 2023-09-08 CN disclosed
EP-3206992-A1 ALKALINE EARTH METAL SALTS Imerys USA, Inc. (US) 2017-08-23 EP disclosed
US-20170232360-A1 ALKALINE EARTH METAL SALTS IMERYS USA, INC. 2017-08-17 US disclosed
EP-2521461-A1 STABILIZATION OF CITRUS FRUIT BEVERAGES COMPRISING SOY PROTEIN Burcon Nutrascience (MB) Corp. (CA) 2012-11-14 EP disclosed
WO-2011079398-A1 STABILIZATION OF CITRUS FRUIT BEVERAGES COMPRISING SOY PROTEIN BURCON NUTRASCIENCE (MB) CORP. (CA) 2011-07-07 WO disclosed
EP-1154701-A1 MILK PROTEIN HYDROLYSATE FOR ADDRESSING A BONE OR DENTAL DISORDER SOCIETE DES PRODUITS NESTLE S.A. (CH) 2001-11-21 EP disclosed
WO-2001015715-A2 COMPOSITION FOR MAINTENANCE OF BONE OR DENTAL HEALTH OR TREATMENT OF BONE OR DENTAL DISORDERS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2001-03-08 WO disclosed
WO-2000049885-A1 MILK PROTEIN HYDROLYSATE FOR ADDRESSING A BONE OR DENTAL DISORDER SOCIETE DES PRODUITS NESTLE S.A. (CH) 2000-08-31 WO disclosed
US-5075499-A CALCIUM SUPPLEMENTATION BY DICALCIUM CITRATE-LACTATE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-12-24 US disclosed
WO-1990005713-A1 CALCIUM SUPPLEMENTATION BY DICALCIUM CITRATE-LACTATE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-05-31 WO disclosed