SCHEMBL29468614

SCHEMBL29468614

O=P(O)(CC(F)(F)F)Oc1cccc(CC(F)(F)F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
INPPL1 O15357 1/20 0.33
INPP5B P32019 1/20 0.33
INPP5A Q14642 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRB P23467 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN5 P54829 1/20 0.31

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
SCHEMBL29468512 0.84 GABRA1 (0.35) HTTINPPL1INPP5BINPP5A
SCHEMBL29468622 0.78 SRC (0.35) HTTINPPL1INPP5BINPP5APTPRC
SCHEMBL29468636 0.78 PTPN5 (0.40) HTTPTPN1PTPN5
SCHEMBL29468553 0.78 L3MBTL1 (0.39) HTTPTPRCPTPN2PTPN1PTPRB
SCHEMBL779900 0.75 PTPN5 (0.33) PTPN1PTPN5
SCHEMBL29468595 0.74 PTGDR2 (0.40) HTTPTPN2PTPN5
SCHEMBL29468524 0.73 KDM4E (0.39) HTTPTPRCPTPN2PTPN1PTPRB
SCHEMBL4120489 0.72 ALKBH1 (0.31)
SCHEMBL4131481 0.72 FABP1 (0.35)
SCHEMBL1276891 0.68 GABRA1 (0.38) HTTINPPL1INPP5BINPP5APTPN5

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
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed