SCHEMBL5697116

SCHEMBL5697116

[CH2]CC(=O)OCCC[Si](OCC)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 3/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
HTR2C P28335 1/20 0.30
ACHE P22303 5/20 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
SCHEMBL176417 0.85 DGKA (0.42) NAAADGKAALDH1A1PRSS1PRSS2
SCHEMBL9323713 0.85 GAA (0.46) NAAADGKATSHRHPGDALDH1A1
SCHEMBL1224968 0.85 NAAA (0.52) NAAADGKARAD52NPSR1ALDH1A1
SCHEMBL180550 0.82 HTR2C (0.40) NAAADGKARAD52NPSR1ALDH1A1
SCHEMBL15806575 0.82 GAA (0.54) NAAATSHRHPGDALDH1A1POLB
SCHEMBL28694624 0.82 NAAA (0.36) NAAADGKARAD52NPSR1TSHR
SCHEMBL6267406 0.82 DGKA (0.44) NAAADGKARAD52NPSR1ALDH1A1
SCHEMBL20480731 0.81 NAAA (0.34) NAAADGKARAD52NPSR1
SCHEMBL9171371 0.81 ALDH1A1 (0.42) NAAATSHRHPGDALDH1A1ACHE
SCHEMBL9323709 0.81 GAA (0.38) NAAADGKARAD52NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325939-B1 Process for preparing co-gels having polyazacycloalkane moieties and their use AIR LIQUIDE (FR) 2006-06-14 EP claimed
EP-1070722-B1 Silica with polyazacycloalkane units containing more than six nitrogen atoms, process for their preparation and use AIR LIQUIDE (FR) 2004-08-11 EP claimed
EP-1051422-B1 SILICA GEL INCORPORATING POLYAZACYCLOALKANE STRUCTURAL UNITS AIR LIQUIDE (FR) 2003-07-02 EP claimed
US-6524372-B1 Separation and purification of gases; 1,4,8,11-Tetrakis(3-(triethoxysilyl)propyl)-1,4,8,11 -tetraazacyclotetradecane L′Air Liquide, Societe Anonyme a Directoire et Conseil de Surveillance pour l′Etude et l′Exploitation des Procedes Georges Claude (FR) 2003-02-25 US claimed
US-6534649-B1 Novel material which can be used in separation and purification of gases L'AIR LIQUIDE, SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2003-03-18 US disclosed
US-6524372-B1 Separation and purification of gases; 1,4,8,11-Tetrakis(3-(triethoxysilyl)propyl)-1,4,8,11 -tetraazacyclotetradecane L′Air Liquide, Societe Anonyme a Directoire et Conseil de Surveillance pour l′Etude et l′Exploitation des Procedes Georges Claude (FR) 2003-02-25 US disclosed