SCHEMBL28639601

SCHEMBL28639601

CCC(=O)C(CO)(CO)CO

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
FFAR3 O14843 1/20 0.37
TSHR P16473 1/20 0.35

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
SCHEMBL6847171 0.78 ALDH1A1 (0.39) TDP1ALDH1A1FFAR3TSHR
SCHEMBL19734837 0.77
SCHEMBL5572486 0.73 OR51E2 (0.30)
SCHEMBL4202415 0.73
SCHEMBL4338061 0.73 TDP1 (0.35) TDP1ALDH1A1FFAR3TSHR
SCHEMBL28244662 0.71 CYP4F2 (0.33)
SCHEMBL10289543 0.69 TDP1 (0.32) TDP1ALDH1A1FFAR3
SCHEMBL22249000 0.69
Acetone SCHEMBL3863982 0.69 ALDH1A1 (0.32) TDP1ALDH1A1
SCHEMBL8640291 0.69 CAMK2A (0.30)

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-108289819-B Anhydrous spot-removing composition containing phenolic compounds 杭州鼎智生物医药有限公司 2021-09-10 CN disclosed