SCHEMBL3968801

SCHEMBL3968801

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.32
PDE4A P27815 1/20 0.31
HPGD P15428 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
SCHEMBL6324979 0.83 THRB (0.35) TDP1ALDH1A1
SCHEMBL19100150 0.83
SCHEMBL10716607 0.83 ALDH1A1 (0.39) LMNAALDH1A1
SCHEMBL13071710 0.80
SCHEMBL9979302 0.79 ALDH1A1 (0.33) TDP1ALDH1A1HPGDHIF1A
SCHEMBL767030 0.77
SCHEMBL11499452 0.77
SCHEMBL28272450 0.77
SCHEMBL62388 0.76
Water SCHEMBL28322585 0.75 TDP1 (0.35) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9125856-B1 Method of stabilizing human eye tissue THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-09-08 US disclosed
WO-2014158445-A1 SYNTHESIS OF (2-NITRO)ALKYL (METH)ACRYLATES VIA TRANSESTERIFICATION OF (METH)ACRYLATE ESTERS ROHM AND HAAS COMPANY (US) 2014-10-02 WO disclosed
EP-2082005-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS Pleotint, L.L.C. (US) 2009-07-29 EP disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed