SCHEMBL10885284

SCHEMBL10885284

OCCNCCNCCN(CCO)CCO

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL451439 0.97 CA12 (0.32) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL11028285 0.95 KDM4E (0.33) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL16075892 0.95 KDM4E (0.33) CA12CA1CA2CA9SMN1; SMN2
Trolamine SCHEMBL1668128 0.92 MAPT (0.33) SMN1; SMN2
SCHEMBL6242410 0.92 CA12 (0.35) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL8940029 0.92 CA12 (0.35) CA12CA1CA2CA9
Trolamine SCHEMBL11568005 0.89 MAPT (0.32) SMN1; SMN2
SCHEMBL16041150 0.89 CA12 (0.46) CA12CA1CA2CA9
SCHEMBL2748225 0.86 CYP2C9 (0.37) CA12CA1CA2CA9
SCHEMBL11149570 0.86 CYP2C19 (0.46) CA12CA1CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0101723-A4 PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES. MARTIN MARIETTA CORP (US) 1984-07-03 EP claimed
EP-0101723-A1 PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES. MARTIN MARIETTA CORP (US) 1984-03-07 EP claimed
WO-1983002938-A1 HYDRAULIC CEMENT MIXES AND PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES MARTIN MARIETTA CORP (US) 1983-09-01 WO claimed
US-4401472-A ADDING A POLY/HYDROXYALKYLATED/POLYETHYLENEDIAMINE OR IMINE TO INCREASE CJOMPRESSIVE STRENGTH MARTIN MARIETTA CORPORATION (US) 1983-08-30 US claimed
EP-0101723-B1 PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES SANDOZ LTD. (CH) 1986-11-26 EP disclosed
US-4519842-A POLY(HYDROXYALKYLATED)POLYAMINE COMPRESSIVE STRENGTH IMPROVER MARTIN MARIETTA CORPORATION (US) 1985-05-28 US disclosed
EP-0101723-A4 PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES. MARTIN MARIETTA CORP (US) 1984-07-03 EP disclosed
EP-0101723-A1 PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES. MARTIN MARIETTA CORP (US) 1984-03-07 EP disclosed
WO-1983002938-A1 HYDRAULIC CEMENT MIXES AND PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES MARTIN MARIETTA CORP (US) 1983-09-01 WO disclosed
US-4401472-A ADDING A POLY/HYDROXYALKYLATED/POLYETHYLENEDIAMINE OR IMINE TO INCREASE CJOMPRESSIVE STRENGTH MARTIN MARIETTA CORPORATION (US) 1983-08-30 US disclosed