SCHEMBL18633545

SCHEMBL18633545

CC1(C)OCC(CO)(CN2CCN=C2[N+](=O)[O-])CO1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNA4 P22459 1/20 0.32
▸ KCNA1 Q09470 1/20 0.32
▸ KCNAB1 Q14722 1/20 0.32

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
SCHEMBL2512663 0.63 EPHX1 (0.48) KCNA4KCNA1KCNAB1
SCHEMBL15899192 0.63 MITF (0.31) —
SCHEMBL15899355 0.63 CA12 (0.44) —
SCHEMBL14626599 0.59 — —
SCHEMBL1108447 0.59 EPHX1 (0.42) KCNA4KCNA1KCNAB1
SCHEMBL14822583 0.57 CA12 (0.41) KCNA4KCNA1KCNAB1
SCHEMBL12769174 0.57 EPHX1 (0.41) KCNA4KCNA1KCNAB1
Methane SCHEMBL9788186 0.57 EPHX1 (0.41) —
SCHEMBL672443 0.57 ALDH1A1 (0.43) —
SCHEMBL9619313 0.56 EPHX1 (0.39) —

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
EP-3141537-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-15 — — EP disclosed
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