SCHEMBL4537223

SCHEMBL4537223

CCCC(N)C[Si](O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
METAP1 P53582 2/20 0.33
GRIK1 P39086 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GRIK2 Q13002 1/20 0.31
TSHR P16473 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
SCHEMBL4534786 0.77 ALDH1A1 (0.41) ALDH1A1METAP1GRIK1SLC1A3SLC1A2
SCHEMBL284709 0.73
SCHEMBL4531776 0.72 ALDH1A1 (0.41) ALDH1A1METAP1GRIK1SLC1A3SLC1A2
Ammonia Solution, Strong SCHEMBL17156481 0.70
SCHEMBL28803333 0.70 ALDH1A1 (0.46) ALDH1A1METAP1GRIK1SLC1A3SLC1A2
Fluoride SCHEMBL27138066 0.70
Hydrochloric Acid SCHEMBL6263417 0.70
SCHEMBL214301 0.69
SCHEMBL1003546 0.69
SCHEMBL352611 0.69

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-7507480-B2 Corrosion-resistant metal surfaces BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) 2009-03-24 US disclosed
US-20060269760-A1 Corrosion-resistant metal surfaces ENERGY, UNITED STATES DEPARTMENT OF 2006-11-30 US disclosed