SCHEMBL4954541

SCHEMBL4954541

O=C(O)CNCC(CC(=O)O)(CC(=O)O)NCC(=O)O.[Zn]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL221253 0.98 ALDH1A1 (0.32) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Ammonia Solution, Strong SCHEMBL15653109 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1088595 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Water SCHEMBL8376683 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6889572 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL6746940 0.96 ALDH1A1 (0.31) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL10549264 0.94 ALDH1A1 (0.30) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Formaldehyde SCHEMBL11705917 0.94 ALDH1A1 (0.30) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Water SCHEMBL9151500 0.94 ALDH1A1 (0.30) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Monoethanolamine SCHEMBL4953387 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537195-A4 DESINFECTING COMPOSITION VECKIS IND LTD (LI) 2008-05-21 EP claimed
US-20080057136-A1 Disinfecting Composition and Methods of Making and Using Same VECKIS INDUSTRIES LTD. (LI) 2008-03-06 US claimed
US-20070134136-A1 Disinfecting composition VECKIS INDUSTRIES LTD. (LI) 2007-06-14 US claimed
JP-2007510712-A 2007-04-26 JP claimed
EP-1689416-A1 DISINFECTING COMPOSITION AND METHODS OF MAKING AND USING SAME Veckis Industries Ltd. (LI) 2006-08-16 EP claimed
US-20050164913-A1 Disinfecting composition VECKIS INDUSTRIES LTD. (LI) 2005-07-28 US claimed
EP-1537195-A1 DESINFECTING COMPOSITION Veckis Industries Ltd. (LI) 2005-06-08 EP claimed
WO-2005044287-A1 DISINFECTING COMPOSITION AND METHODS OF MAKING AND USING SAME VECKIS INDUSTRIES LTD. (US) 2005-05-19 WO claimed
US-20050079146-A1 Mixture of ionic surfactant, chelate compound and solvent, preferable water; against grampositive, gramnegative bacteria VECKIS INDUSTRIES LTD. (LI) 2005-04-14 US claimed
US-20040033916-A1 Disinfecting composition KUZMIN VLADIMIR SEMENOVICH (RU) 2004-02-19 US claimed
WO-2004003121-A1 DESINFECTING COMPOSITION VECKIS INDUSTRIES LTD. (LI) 2004-01-08 WO claimed
EP-1537195-A4 DESINFECTING COMPOSITION VECKIS IND LTD (LI) 2008-05-21 EP disclosed
US-20080057136-A1 Disinfecting Composition and Methods of Making and Using Same VECKIS INDUSTRIES LTD. (LI) 2008-03-06 US disclosed
US-20080015140-A1 DISINFECTING COMPOSITION VECKIS INDUSTRIES LTD. (LI) 2008-01-17 US disclosed
US-20070134136-A1 Disinfecting composition VECKIS INDUSTRIES LTD. (LI) 2007-06-14 US disclosed
EP-1537195-A1 DESINFECTING COMPOSITION Veckis Industries Ltd. (LI) 2005-06-08 EP disclosed
WO-2005044287-A1 DISINFECTING COMPOSITION AND METHODS OF MAKING AND USING SAME VECKIS INDUSTRIES LTD. (US) 2005-05-19 WO disclosed
US-20050079146-A1 Mixture of ionic surfactant, chelate compound and solvent, preferable water; against grampositive, gramnegative bacteria VECKIS INDUSTRIES LTD. (LI) 2005-04-14 US disclosed
US-20040033916-A1 Disinfecting composition KUZMIN VLADIMIR SEMENOVICH (RU) 2004-02-19 US disclosed
WO-2004003121-A1 DESINFECTING COMPOSITION VECKIS INDUSTRIES LTD. (LI) 2004-01-08 WO disclosed