SCHEMBL9550971

SCHEMBL9550971

Cc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CA5A P35218 1/20 0.46
ACHE P22303 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
MLYCD O95822 1/20 0.42
KIF11 P52732 1/20 0.36
CYP19A1 P11511 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA7 P43166 1/20 0.35
MAPT P10636 2/20 0.35
BCHE P06276 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPBWR1 P48145 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
SCHEMBL30144865 0.97 TSHR (0.48) TSHRCA2CA1CA9CA5A
SCHEMBL11217955 0.91 TSHR (0.42) TSHRCA2CA1CA9CA5A
SCHEMBL9598862 0.88 TSHR (0.55) TSHRCA2CA1CA9CA5A
SCHEMBL426644 0.83 TSHR (0.50) TSHRCA2CA1CA9CA5A
SCHEMBL5753370 0.81 TSHR (0.55) TSHRCA2CA1CA9CA5A
SCHEMBL17943301 0.81 TSHR (0.48) TSHRCA2CA1CA9CA5A
SCHEMBL12299037 0.81 TSHR (0.55) TSHRCA2CA1CA9CA5A
SCHEMBL17943229 0.79 TSHR (0.48) TSHRCA2CA1CA9CA5A
SCHEMBL17943246 0.77 ACHE (0.62) TSHRCA2CA1CA9CA5A
SCHEMBL11624810 0.77 ALDH1A1 (0.62) TSHRCA2CA1CA9CA5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5208925-A None JP disclosed
EP-4389800-A1 FLUORINE-CONTAINING POLYAMIDE COMPOUND AND FLUORINE-CONTAINING POLYBENZOXAZOLE Daikin Industries, Ltd. (JP) 2024-06-26 EP disclosed
CN-117940487-A Fluorine-containing polyamide compound and fluorine-containing polybenzoxazole 大金工业株式会社 2024-04-26 CN disclosed
WO-2023022123-A1 FLUORINE-CONTAINING POLYAMIDE COMPOUND AND FLUORINE-CONTAINING POLYBENZOXAZOLE ダイキン工業株式会社 2023-02-23 WO disclosed
JP-H05208925-A FLUOROALKANE DERIVATIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME ASAHI GLASS CO LTD 1993-08-20 JP disclosed