SCHEMBL4543898

SCHEMBL4543898

[CH2]CC(c1cccc(C=Cc2ccc3sc(Cl)c(Cl)c3n2)c1)c1ccccc1C(C)(C)O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 16/20 0.57
▸ CYSLTR1 Q9Y271 16/20 0.57

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
SCHEMBL27642150 0.86 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL5694750 0.84 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL3234021 0.84 CYSLTR2 (0.57) CYSLTR2CYSLTR1
Acetic Acid SCHEMBL524721 0.82 CYSLTR2 (0.58) CYSLTR2CYSLTR1
Acetic Acid SCHEMBL5521186 0.82 CYSLTR2 (0.58) CYSLTR2CYSLTR1
SCHEMBL27727914 0.81 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL27600259 0.81 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL27318096 0.81 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL5971548 0.81 CYSLTR2 (0.75) CYSLTR2CYSLTR1
SCHEMBL227362 0.81 CYSLTR2 (0.75) CYSLTR2CYSLTR1

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-2091571-A2 METHOD FOR STERILIZING A FILM CONTAINER Boehringer Ingelheim International GmbH (DE) 2009-08-26 — — EP disclosed
WO-2008049915-A2 METHOD FOR STERILIZING A FILM CONTAINER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 — — WO disclosed
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