SCHEMBL28675396

SCHEMBL28675396

C(OCC1CO1)C1CO1.C=CC(=O)OC(O)CC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 5/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 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
SCHEMBL14672623 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28378578 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL4075776 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL21084068 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL11193107 0.80
SCHEMBL26116 0.80
SCHEMBL28096193 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL27916617 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
Hydrogen Peroxide SCHEMBL28304847 0.79 TSHR (0.42) ALDH1A1SMN1; SMN2TSHRMAPK1TP53
SCHEMBL28524913 0.79 TSHR (0.42) ALDH1A1SMN1; SMN2TSHRMAPK1TP53

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-113817138-A UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof 湖南昕逸辰科技有限公司 2021-12-21 CN claimed
CN-113817138-A UV-cured fingerprint-resistant resin with high fluorine content and preparation method and application thereof 湖南昕逸辰科技有限公司 2021-12-21 CN disclosed