SCHEMBL9806594

SCHEMBL9806594

CCOCCOC(=S)[S-].CCOCCOC(=S)[S-].CCOCCOC(=S)[S-].[Cr+3]

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.56
CA1 P00915 13/20 0.56
CA2 P00918 13/20 0.56
CA9 Q16790 13/20 0.56
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
Potassium Ion SCHEMBL9306627 0.95 CA12 (0.61) CA12CA1CA2CA9ALDH1A1
SCHEMBL9778605 0.95 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL2141170 0.95 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL9308111 0.95 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL9307201 0.95 CA12 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL9806536 0.80 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL9806528 0.79 CA12 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL9306529 0.79 CA12 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL6580504 0.77 ALDH1A1 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL672728 0.76 CA12 (0.94) CA12CA1CA2CA9ALDH1A1

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
US-5035815-A Synergistic, antiwear EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-30 US disclosed
US-5034142-A Wear resistant compositions for engines EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-23 US disclosed