SCHEMBL28577245

SCHEMBL28577245

FC(F)(F)CCCCC(F)(F)CCOCC1CO1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.39

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
SCHEMBL10036677 0.85 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL2302761 0.85 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15025400 0.76 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL27958346 0.72 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24388692 0.71 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17763407 0.71 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL19615496 0.71 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL14961435 0.71 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL14961440 0.71 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL22067565 0.71 ALDH1A1 (0.46) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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-110387068-B Dendrobium polysaccharide nanocellulose hydrogel 温州大学 2021-06-25 CN claimed
CN-110387068-B Dendrobium polysaccharide nanocellulose hydrogel 温州大学 2021-06-25 CN disclosed