SCHEMBL3698192

SCHEMBL3698192

CCC(OC(C)C)(OC(C)C)C(=O)CC(=O)[O-].CCC(OC(C)C)(OC(C)C)C(=O)CC(=O)[O-].CCC(OC(C)C)(OC(C)C)C(=O)CC(=O)[O-].CCC(OC(C)C)(OC(C)C)C(=O)CC(=O)[O-].[Ti+4]

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
SCHEMBL93234 0.96 CA4 (0.32) CA4CA2
SCHEMBL9738753 0.96 CA4 (0.32) CA4CA2
SCHEMBL1419113 0.82 CA4 (0.30) CA4
SCHEMBL10455448 0.81 CA4 (0.32) CA4CA2
SCHEMBL992246 0.81 LDHA (0.31)
SCHEMBL28364549 0.80 CA2 (0.30) CA2
SCHEMBL30683001 0.79
SCHEMBL28003732 0.79
SCHEMBL27414220 0.79
SCHEMBL29569021 0.79 CA2 (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
EP-2452994-A1 Addition curable silicone adhesive composition Shin-Etsu Chemical Co., Ltd. (JP) 2012-05-16 EP disclosed