SCHEMBL28075773

SCHEMBL28075773

O=C1OC(=O)c2c1cc(F)c(Br)c2F

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL28075771 0.85 TSHR (0.41) TSHRALOX15TDP1
SCHEMBL855653 0.82 ALOX15 (0.37) TSHRALOX15TDP1
SCHEMBL30523205 0.82 ALOX15 (0.37) TSHRALOX15TDP1
SCHEMBL27801935 0.77 ALDH1A1 (0.41) TSHRALOX15TDP1
SCHEMBL30451169 0.74 TSHR (0.38) TSHRALOX15TDP1
SCHEMBL26183091 0.74 TSHR (0.38) TSHRALOX15TDP1
SCHEMBL29476090 0.74 ALOX15 (0.42) TSHRALOX15TDP1
SCHEMBL854772 0.74 ALOX15 (0.42) TSHRALOX15TDP1
SCHEMBL4924942 0.73 ALDH1A1 (0.41) TSHRALOX15TDP1
SCHEMBL652925 0.71 ALOX15 (0.48) ALOX15TDP1

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
CN-105849094-A Method for producing halogen-substituted phthalide 住友化学株式会社 2016-08-10 CN disclosed