Sugi Predict

Sugi Predict / Compounds / SCHEMBL9513281

SCHEMBL9513281

SCHEMBL9513281

CCCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C=Cc3ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.31
▸ AHR P35869 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
SCHEMBL9514524 1.00 MAOB (0.31) MAOBAHR
SCHEMBL9514453 1.00 MAOB (0.31) MAOBAHR
SCHEMBL9513347 0.99 MAOB (0.32) MAOBAHR
SCHEMBL9513707 0.96 MAOB (0.32) MAOBAHR
SCHEMBL9513126 0.94 MAOB (0.32) MAOBAHR
SCHEMBL9513681 0.94 MAOB (0.32) MAOBAHR
SCHEMBL9513215 0.94 MAOB (0.32) MAOBAHR
SCHEMBL9514440 0.93 MAOB (0.33) MAOBAHR
SCHEMBL9514468 0.92 MAOB (0.33) MAOB
SCHEMBL9513687 0.90 MAOB (0.33) MAOBAHR

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-0387315-B1 FLUORINATED ALKOXYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 — — EP disclosed