SCHEMBL4623630

SCHEMBL4623630

CC(C)CCCc1[nH]cc[n+]1C.CCS(=O)(=O)[O-]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.33

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
SCHEMBL16296107 0.89 FUT7 (0.36) FUT7
SCHEMBL628066 0.88 GPR84 (0.31)
Trifluoromethanesulfonic Acid SCHEMBL31207574 0.88 KCNH2 (0.36) FUT7
Hydrochloric Acid SCHEMBL3944493 0.86 GPR84 (0.30)
Bromide SCHEMBL31207560 0.86 GPR84 (0.30)
Iodide SCHEMBL31207554 0.86 GPR84 (0.30)
SCHEMBL4067197 0.83 HIF1A (0.34)
SCHEMBL3133314 0.82
Hydrochloric Acid SCHEMBL3938100 0.82 HIF1A (0.33)
SCHEMBL5283126 0.82 HIF1A (0.36) FUT7

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
EP-1902004-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD Merck Patent GmbH (DE) 2008-03-26 EP disclosed
WO-2007006387-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2007-01-18 WO disclosed