SCHEMBL28537729

SCHEMBL28537729

BOB(O)OCC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 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
SCHEMBL1242812 0.85 LMNA (0.42) LMNAALDH1A1USP2
SCHEMBL29223901 0.77 LMNA (0.36) LMNAALDH1A1USP2
SCHEMBL50793 0.75
SCHEMBL28160307 0.72 LMNA (0.31) LMNAALDH1A1
Trichloroacetic Acid SCHEMBL20917669 0.71 ALDH1A1 (0.39) LMNAALDH1A1
SCHEMBL28046053 0.70
SCHEMBL7757662 0.69
SCHEMBL28589621 0.69 LMNA (0.40) LMNAALDH1A1USP2
SCHEMBL28788532 0.67
SCHEMBL5419822 0.64

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-112321624-A Chelate boron ionic liquid containing thiadiazole structure and application thereof 青岛中科润美润滑材料技术有限公司 2021-02-05 CN claimed