SCHEMBL31398441

SCHEMBL31398441

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 1/20 0.32
MAPK1 P28482 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
SCHEMBL31398440 0.80
SCHEMBL2454759 0.78 CA2 (0.32) CA2
SCHEMBL107363 0.76 CA2 (0.35) CA2CA1
SCHEMBL106786 0.74 CA2 (0.41) CA2CA1MAPK1
SCHEMBL105557 0.73 CA2 (0.35) CA2CA1
SCHEMBL1942207 0.70 CA2 (0.41) CA2CA1MAPK1
SCHEMBL106127 0.70 CA2 (0.41) CA2CA1MAPK1
SCHEMBL3241100 0.68 CA2 (0.36) CA2MAPK1
SCHEMBL620950 0.67 CA2 (0.35) CA2
SCHEMBL14519715 0.65 CA2 (0.42) CA2CA1MAPK1

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-119562992-A Moisture-curable silicone composition 金刚高丽化工有机硅公司 2025-03-04 CN disclosed