SCHEMBL28001029

SCHEMBL28001029

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.32
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
SCHEMBL28095863 0.88 ALDH1A1 (0.35) ALDH1A1TDP1THRB
SCHEMBL6324979 0.76 THRB (0.35) ALDH1A1TDP1THRB
SCHEMBL3800523 0.74
SCHEMBL6671110 0.72
SCHEMBL11413205 0.72 ALDH1A1 (0.41) ALDH1A1TDP1TSHR
SCHEMBL6671112 0.72
Water SCHEMBL11436356 0.72 ALDH1A1 (0.38) ALDH1A1TDP1THRB
SCHEMBL9806232 0.70 ALDH1A1 (0.41) ALDH1A1TDP1THRBTSHR
SCHEMBL28295162 0.70 ALDH1A1 (0.36) ALDH1A1TDP1THRB
Potassium Ion SCHEMBL10894348 0.69 ALDH1A1 (0.39) ALDH1A1TDP1TSHR

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