SCHEMBL5593428

SCHEMBL5593428

ClN(Cl)CCCCCCCCN(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
DNM1 Q05193 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
SCHEMBL5586205 0.86
SCHEMBL5586250 0.83 DNM1 (0.55) ALDH1A1TSHRDNM1
SCHEMBL15902846 0.83
SCHEMBL28732085 0.83 DNM1 (0.55) ALDH1A1TSHRDNM1
SCHEMBL5476005 0.83
SCHEMBL29215087 0.83 CHRM2 (0.52) ALDH1A1TSHRDNM1
SCHEMBL5586231 0.83 DNM1 (0.55) ALDH1A1TSHRDNM1
SCHEMBL29116825 0.83 CHRM2 (0.52) ALDH1A1TSHRDNM1
SCHEMBL3382442 0.74 TSHR (0.60) ALDH1A1TSHR
SCHEMBL29526588 0.72

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
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO claimed
WO-2007091817-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KIM HEE JUNG (KR) 2007-08-16 WO disclosed