SCHEMBL1703072

SCHEMBL1703072

O=[N+]([O-])CCCCCCC(O)CBr

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL1702830 1.00 ALDH1A1 (0.43) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1702947 1.00 ALDH1A1 (0.43) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1702782 0.98 ALDH1A1 (0.40) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1702946 0.92 ALDH1A1 (0.39) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL1702907 0.83
SCHEMBL8896217 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL6382144 0.78 ALDH1A1 (0.63) ALDH1A1GPR84
SCHEMBL8905008 0.78 ALDH1A1 (0.69) ALDH1A1GPR84
SCHEMBL8466548 0.76 ALDH1A1 (0.46) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL8897388 0.76 ALDH1A1 (0.54) ALDH1A1TDP1GPR84

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