SCHEMBL29163003

SCHEMBL29163003

CC(=O)C(OC(C)C)(OC(C)C)C(=O)CC(=O)[O-].CC(=O)C(OC(C)C)(OC(C)C)C(=O)CC(=O)[O-].CC(=O)C(OC(C)C)(OC(C)C)C(=O)CC(=O)[O-].[Al+3]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.32
CA2 P00918 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
SCHEMBL9840373 0.81 MGAM (0.33)
SCHEMBL4211118 0.81 MGAM (0.33)
SCHEMBL2352551 0.78 TSHR (0.33)
SCHEMBL9237775 0.78 MGAM (0.31)
SCHEMBL27216398 0.77 CA4 (0.35) CA4CA2
SCHEMBL2780515 0.75 TSHR (0.31) CA4
SCHEMBL7646393 0.75 CA4 (0.42) CA4CA2
SCHEMBL27278180 0.75 TSHR (0.31)
SCHEMBL31018769 0.74 CA4 (0.32) CA4CA2
SCHEMBL93234 0.74 CA4 (0.32) CA4CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117321101-A Nitrile group-containing copolymer rubber, rubber composition and rubber crosslinked product 日本瑞翁株式会社 2023-12-29 CN disclosed