SCHEMBL1703310

SCHEMBL1703310

O=[N+]([O-])CCC(O)C(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.33

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
SCHEMBL4147207 0.80
SCHEMBL1703168 0.75
SCHEMBL6470025 0.74
SCHEMBL9670571 0.74
Water SCHEMBL11436354 0.72 ALDH1A1 (0.46) ALDH1A1TDP1HIF1AMEN1LMNA
SCHEMBL6675731 0.72
SCHEMBL1702907 0.71
SCHEMBL6384594 0.70
SCHEMBL5598060 0.70
SCHEMBL9806237 0.70 ALDH1A1 (0.43) ALDH1A1TDP1HIF1AMEN1LMNA

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
EP-2440047-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES Dow Global Technologies LLC (US) 2012-04-18 EP claimed
WO-2010144511-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-16 WO claimed
EP-2440047-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES Dow Global Technologies LLC (US) 2012-04-18 EP disclosed
WO-2010144511-A1 BROMINATED NITROALKANOL COMPOSITIONS AND THEIR USE AS BIOCIDES DOW GLOBAL TECHNOLOGIES INC. (US) 2010-12-16 WO disclosed