SCHEMBL8440163

SCHEMBL8440163

CCCCOC(CC)C(=O)C(C(=O)[O-])(C(=O)CCC)C(=O)CCC.CCCCOC(CC)C(=O)C(C(=O)[O-])(C(=O)CCC)C(=O)CCC.CCCCOC(CC)C(=O)C(C(=O)[O-])(C(=O)CCC)C(=O)CCC.CCCCOC(CC)C(=O)C(C(=O)[O-])(C(=O)CCC)C(=O)CCC.[Zr+4]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.31
CA1 P00915 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
SCHEMBL939520 0.78 CA2 (0.32) CA2
SCHEMBL106374 0.77 CA2 (0.31) CA2
SCHEMBL109540 0.74 CA2 (0.31) CA2
SCHEMBL10943825 0.69 CA2 (0.36) CA2CA1
SCHEMBL4882058 0.68 HDAC3 (0.48) CA1
SCHEMBL1942208 0.68 ALDH1A1 (0.33) CA2CA1
SCHEMBL11282153 0.68 ALDH1A1 (0.33) CA2
SCHEMBL446035 0.67 CYP4F2 (0.44) CA2
SCHEMBL11128347 0.67 ALDH1A1 (0.41) CA2CA1
SCHEMBL992974 0.67 ALDH1A1 (0.32) CA2

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-5998509-A BLEND OF AN EPOXY RESIN, POLYSILOXANE CURING AGENT AND FILLER KABUSHIKI KAISHA TOSHIBA (JP) 1999-12-07 US disclosed
US-5965663-A POLYARYLENE POLYETHER WITH CROSSLINKABLE UNSATURATED ENDGROUPS AND LOW CHLORINE AND ALKALI METAL CONTENT; FILLER; AND A COMPOUND OF MOLECULAR WEIGHT 5000 OR LESS HAVING AN UNSATURATED LINKAGE; MOLDABILTY, NON-HYGROSCOPIC KABUSHIKI KAISHA TOSHIBA (JP) 1999-10-12 US disclosed