SCHEMBL1678853

SCHEMBL1678853

O=[N+]([O-])CCC(O)(O)CO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
HBB P68871 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL9808438 0.78 ALDH1A1 (0.42) ALDH1A1TDP1LMNAMEN1BLM
SCHEMBL18597638 0.72
SCHEMBL16177524 0.72
SCHEMBL400261 0.72
SCHEMBL28716923 0.67 ALDH1A1 (0.46) ALDH1A1TDP1LMNAMEN1BLM
SCHEMBL133153 0.66
SCHEMBL3118936 0.65
SCHEMBL2052281 0.65
SCHEMBL678569 0.65
SCHEMBL66347 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932091-B2 Colorant tracer for cooling water treatment formulations PROCHEMTECH INTERNATIONAL, INC. (US) 2011-04-26 US disclosed
US-20080020470-A1 Colorant tracer for cooling water treatment formulations PROCHEMTECH INTERNATIONAL, INC. (US) 2008-01-24 US disclosed