SCHEMBL1069174

SCHEMBL1069174

Cc1ccc[c]c1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
TSHR P16473 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
SCHEMBL2958797 0.79 TSHR (0.35) ACHETSHR
SCHEMBL6997827 0.75 DAO (0.35) ACHETSHR
SCHEMBL1062474 0.74
SCHEMBL3453974 0.74
SCHEMBL29211312 0.73 ALOX5 (0.30)
SCHEMBL1063655 0.73 LMNA (0.33) TSHR
SCHEMBL1068098 0.73
SCHEMBL1062475 0.72 CA1 (0.41) TSHR
SCHEMBL1065986 0.70 ALDH1A1 (0.31)
SCHEMBL17629101 0.69 ALDH1A1 (0.36)

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
WO-2011006886-A2 AZOLE COMPOUNDS CARRYING A SULFUR SUBSTITUENT XIV BASF SE (DE) 2011-01-20 WO disclosed
WO-2010149758-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-29 WO disclosed