SCHEMBL28001030

SCHEMBL28001030

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 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
SCHEMBL1703310 0.80 ALDH1A1 (0.40) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL6470025 0.78
SCHEMBL6675731 0.76
Water SCHEMBL11436354 0.76 ALDH1A1 (0.46) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL9806237 0.74 ALDH1A1 (0.43) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL5598060 0.74
SCHEMBL6384594 0.74
SCHEMBL4147207 0.74
SCHEMBL20641014 0.74
SCHEMBL9052189 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104341612-A Phosphorus and nitrogen flame retardant and preparation method thereof NANYANG INST TECHNOLOGY 2015-02-11 CN disclosed