SCHEMBL5073165

SCHEMBL5073165

CCCCOC(C)(OCCCC)OC(N)=S.NC(O)=S

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL6381002 0.89 HPGD (0.33)
SCHEMBL5074936 0.80
SCHEMBL10762136 0.72 TSHR (0.44) ADRB2ADRB1ADRB3CA1CA2
Pentane SCHEMBL5474878 0.72 TSHR (0.50) CA12CA1CA2CA9
Pentane SCHEMBL4557431 0.72 TSHR (0.50) CA12CA1CA2CA9
SCHEMBL28398033 0.72 ALDH1A1 (0.38) CA2
SCHEMBL28928902 0.71 CA1 (0.46) ADRB2ADRB1ADRB3CA12CA1
SCHEMBL3670327 0.71 CA1 (0.46) ADRB2ADRB1ADRB3CA12CA1
SCHEMBL28332119 0.71 ALDH1A1 (0.50)
SCHEMBL3688923 0.70 CA12 (0.45) ADRB2ADRB1ADRB3CA12CA1

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-1973923-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDI-PHYSICS CO., LTD. (JP) 2008-10-01 EP disclosed
WO-2007083395-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-07-26 WO disclosed