SCHEMBL28512304

SCHEMBL28512304

C=C(OC1C=CC=CC1)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL28514361 0.77 ALDH1A1 (0.40) ALDH1A1TSHRMAPT
SCHEMBL28517982 0.76 ALDH1A1 (0.39) ALDH1A1TSHRMAPT
SCHEMBL9578287 0.71 CA12 (0.37) TSHR
SCHEMBL30688690 0.70
SCHEMBL28514462 0.70 ALDH1A1 (0.34) ALDH1A1TSHRMAPT
SCHEMBL5185884 0.69
SCHEMBL30565914 0.68 ALDH1A1 (0.40) ALDH1A1TSHRMAPT
SCHEMBL22610216 0.67
SCHEMBL6450167 0.67
SCHEMBL28992582 0.67 NAAA (0.46) ALDH1A1TSHRMAPT

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-112292100-A Composition with high reaction index and high dispersion coefficient 强生外科视力公司 2021-01-29 CN claimed
CN-112292100-A Composition with high reaction index and high dispersion coefficient 强生外科视力公司 2021-01-29 CN disclosed