SCHEMBL28432001

SCHEMBL28432001

C=CCOC(=O)C(CC(=O)O)S(=O)(=O)O.C=CCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.33
CYP3A4 P08684 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
SCHEMBL87407 0.92 CASP1 (0.36) CASP1CYP3A4
SCHEMBL1077784 0.92 CASP1 (0.36) CASP1CYP3A4
SCHEMBL27766572 0.92 CASP1 (0.36) CASP1CYP3A4
Ammonia Solution, Strong SCHEMBL4503577 0.90 CASP1 (0.35) CASP1CYP3A4
SCHEMBL2937128 0.90 CASP1 (0.35) CASP1CYP3A4
Sulfuric Acid SCHEMBL9815941 0.90 CASP1 (0.35) CASP1CYP3A4
SCHEMBL6418321 0.90 CASP1 (0.35) CASP1CYP3A4
SCHEMBL5457190 0.90 CASP1 (0.35) CASP1CYP3A4
Ethylene SCHEMBL5962491 0.90 CASP1 (0.35) CASP1CYP3A4
SCHEMBL8911323 0.83 TDP1 (0.31)

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-111334156-A Preparation method of wind power blade rapid repairing coating 安徽国成顺风风力发电有限公司 2020-06-26 CN disclosed