SCHEMBL9511979

SCHEMBL9511979

CCCCCOB(O)F.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
LPAR3 Q9UBY5 6/20 0.35
LPAR2 Q9HBW0 5/20 0.35
LPAR1 Q92633 2/20 0.35
NAAA Q02083 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 1/20 0.35
ANPEP P15144 1/20 0.35
GBA1 P04062 1/20 0.34
DNM1 Q05193 1/20 0.34
EPHX1 P07099 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
SCHEMBL3806567 0.98
SCHEMBL5381237 0.90 TSHR (0.39) CA12CA1CA2CA9MEN1
Ammonia Solution, Strong SCHEMBL9688440 0.88
SCHEMBL1042064 0.82 TSHR (0.33) ANPEP
SCHEMBL5416973 0.79
SCHEMBL3806564 0.77 THRB (0.37) CA12CA1CA2CA9MEN1
SCHEMBL170051 0.77
SCHEMBL17333189 0.77 CA12 (0.41) CA12CA1CA2CA9MEN1
Octane SCHEMBL21693642 0.76 TSHR (0.57) MEN1THRBKMT2ACES2CES1
SCHEMBL23302194 0.75 THRB (0.44) CA12CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402399-B1 CONTROL OF PRODUCT SELECTIVITY IN THE ADDITION OF HCN TO ARABINOSE UOP INC (US) 1993-11-18 EP disclosed
US-4959467-A COMPLEXING THE SUGAR WITH A METALLATE BEFORE ADDITION OF CYANIDE REACTANT ALLIED-SIGNAL INC. (US) 1990-09-25 US disclosed