SCHEMBL23505751

SCHEMBL23505751

CC(C)C(=O)OC(=O)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.31

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
SCHEMBL308254 0.85
SCHEMBL16250 0.85 TSHR (0.42) TSHRELANE
SCHEMBL13983739 0.83
Methyl Alcohol SCHEMBL28095566 0.82 TSHR (0.40) TSHRELANE
SCHEMBL28746772 0.82 TSHR (0.40) TSHRELANE
Acetic Acid SCHEMBL9803607 0.80 FFAR3 (0.41) TSHR
SCHEMBL27448641 0.79 TSHR (0.38) TSHRELANE
SCHEMBL20835972 0.78 ALDH1A1 (0.56) TSHR
SCHEMBL28493562 0.77 TP53 (0.42) TSHRELANE
SCHEMBL15210417 0.74

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
EP-3218358-B1 DIFLUOROMETHYL-AMINOPYRIDINES AND DIFLUOROMETHYL-AMINOPYRIMIDINES PIQUR THERAPEUTICS AG (CH) 2021-06-16 EP disclosed