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Sugi Predict / Compounds / Perflubutane

Perflubutane

Perflubutane

SCHEMBL7534441

CCCCCC(=O)C[S+](C(C)C)C(C)C.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.42
▸ CES1 P23141 6/20 0.41
▸ CES2 O00748 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.35

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
SCHEMBL7563045 1.00 FAAH (0.42) FAAHCES1CES2KMT2AMEN1
SCHEMBL7531765 0.88 THRB (0.32) —
Perflubutane SCHEMBL7530823 0.88 THRB (0.32) —
SCHEMBL6551273 0.88 FAAH (0.33) FAAHCES1CES2KMT2AMEN1
SCHEMBL6550904 0.88 FAAH (0.33) FAAHCES1CES2KMT2AMEN1
SCHEMBL6726109 0.88 KMT2A (0.47) FAAHCES1CES2KMT2AMEN1
SCHEMBL6551167 0.87 CES1 (0.35) FAAHCES1CES2KMT2AMEN1
SCHEMBL6550841 0.87 CES1 (0.35) FAAHCES1CES2KMT2AMEN1
SCHEMBL6728498 0.86 KMT2A (0.50) FAAHCES1CES2KMT2AMEN1
SCHEMBL6551173 0.83 CA1 (0.33) —

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
US-20020015913-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-07 — — US disclosed