SCHEMBL9542814

SCHEMBL9542814

O=C(C(F)C(=O)C(F)(F)C(F)(F)C(F)F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9565759 0.83 L3MBTL1 (0.38) KDM4ETSHRTDP1
SCHEMBL9539104 0.82 THRB (0.33) KDM4ETSHRTDP1
SCHEMBL196347 0.82 CA2 (0.40)
SCHEMBL28372027 0.80 CA2 (0.32)
SCHEMBL14519850 0.73 KDM4E (0.31) KDM4ETSHRTDP1
SCHEMBL29215235 0.72 KDM4E (0.33) KDM4ETSHRTDP1
SCHEMBL892346 0.71 KDM4E (0.36) KDM4ETSHRTDP1
SCHEMBL15370209 0.70 CA2 (0.32)
SCHEMBL31303609 0.70 CA2 (0.32)
SCHEMBL9565813 0.70 THRB (0.40) KDM4ETSHRTDP1

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-1993004072-A1 METAL β-DIKETONATES THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1993-03-04 WO disclosed
EP-0527661-A1 Metal beta-diketonates THE ASSOCIATED OCTEL COMPANY LIMITED (GB) 1993-02-17 EP disclosed