SCHEMBL29636858

SCHEMBL29636858

FC(F)C(F)(F)C(F)(F)C(F)(F)CCOCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL23964677 0.83 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL709622 0.83 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24388690 0.81 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL6396178 0.80 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1129862 0.80 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17916643 0.78 KDM4E (0.34) TSHRSMN1; SMN2TDP1
SCHEMBL5371037 0.77 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL711057 0.77 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL711178 0.77 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL810670 0.77 TSHR (0.44) 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
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO claimed
WO-2022093797-A1 FUNCTIONAL EPOXIDES IN CATALYST-BASED ELECTROLYTE COMPOSITIONS FOR LI-ION BATTERIES ENEVATE CORPORATION (US) 2022-05-05 WO disclosed