SCHEMBL28537353

SCHEMBL28537353

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(O)C(C)(C)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.35
SLC7A5 Q01650 1/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 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
SCHEMBL5907167 0.84 TRPA1 (0.38) TRPA1ALDH1A1
SCHEMBL27958990 0.80 TP53 (0.43) TP53TRPA1SLC7A5ALDH1A1MAPT
SCHEMBL846238 0.79 TP53 (0.33) TP53
SCHEMBL28916465 0.77 RNPEP (0.38) TP53TRPA1SLC7A5ALDH1A1
SCHEMBL28835887 0.77 RNPEP (0.38) TP53TRPA1SLC7A5ALDH1A1
SCHEMBL56322 0.73 TRPA1 (0.41) TP53TRPA1SLC7A5PTGS1
SCHEMBL7933228 0.73 TRPA1 (0.41) TP53TRPA1SLC7A5PTGS1
SCHEMBL43994 0.73 TRPA1 (0.41) TP53TRPA1SLC7A5PTGS1
SCHEMBL28033570 0.73 TP53 (0.36) TP53SLC7A5
Bicarbonate SCHEMBL21489532 0.71 TP53 (0.33) TP53TRPA1

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
CN-114206483-A Hollow fiber membrane 路博润先进材料公司 2022-03-18 CN disclosed
CN-112334216-A Flat porous PVC film 路博润先进材料公司 2021-02-05 CN disclosed