SCHEMBL16952941

SCHEMBL16952941

OCc1cc(OC(F)(F)F)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 3/20 0.42
RUNX1 Q01196 1/20 0.41
FFAR4 Q5NUL3 2/20 0.40
KIF11 P52732 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
MGLL Q99685 1/20 0.38
MAPT P10636 2/20 0.37
EPHX2 P34913 1/20 0.37
FFAR1 O14842 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36

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
SCHEMBL4638450 0.88 GRIN2B (0.46) FFAR4SLC6A3
SCHEMBL16954969 0.88 HSD17B10 (0.45) AOC3
SCHEMBL28709560 0.85 FFAR4 (0.43) GPR3RUNX1FFAR4KIF11SLC6A2
SCHEMBL16957460 0.85 L3MBTL1 (0.44) RUNX1SLC6A2SLC6A4MGLLMAPT
SCHEMBL16961968 0.85 TACR1 (0.46) RUNX1FFAR4SLC6A2SLC6A4MAOB
SCHEMBL3872156 0.85 FFAR4 (0.45) GPR3RUNX1FFAR4KIF11MAOB
SCHEMBL16958409 0.84 TACR1 (0.47) GPR3RUNX1FFAR4SLC6A2SLC6A4
SCHEMBL6482510 0.82 TACR1 (0.48) RUNX1FFAR4SLC6A4EPHX2
SCHEMBL11030156 0.81 FFAR4 (0.49) GPR3RUNX1FFAR4KIF11MAOB
SCHEMBL1905592 0.81 MEN1 (0.46) GPR3RUNX1FFAR4KIF11MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114094023-B Organic electroluminescent element containing compound based on tribenzotriindene 上海八亿时空先进材料有限公司 2024-05-10 CN disclosed
CN-114094023-A Organic electroluminescent element containing triphenyltriindene-based compound 上海八亿时空先进材料有限公司 2022-02-25 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed