SCHEMBL7102235

SCHEMBL7102235

CCCC(F)C(=O)C(C)C(=O)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7099734 0.90 MAPT (0.41) TSHRALDH1A1MAPT
SCHEMBL7097520 0.85 ALDH1A1 (0.36) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7097417 0.85 TSHR (0.38) TSHRALDH1A1SMN1; SMN2
SCHEMBL7101890 0.84 MAPT (0.36) TSHRALDH1A1MAPT
SCHEMBL7099340 0.81 CA1 (0.40) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7100406 0.81 ALDH1A1 (0.42) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7096505 0.80 LMNA (0.35) TSHRMAPT
SCHEMBL7096884 0.79 TSHR (0.42) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7099715 0.75 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL7100515 0.75 MAPT (0.43) TSHRALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038861-B1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2003-09-03 EP disclosed
US-6593488-B1 Reacting 2-fluorocarboxylate with carboxylate UBE INDUSTRIES, LTD. (JP) 2003-07-15 US disclosed
EP-1038861-A1 4-FLUORO-3-OXOCARBOXYLIC ESTERS AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES LIMITED (JP) 2000-09-27 EP disclosed