SCHEMBL29468628

SCHEMBL29468628

O=P(O)(CC(F)(F)F)OCCc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
TAAR1 Q96RJ0 5/20 0.40
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAOB P27338 2/20 0.35
RIPK1 Q13546 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34
IDO1 P14902 2/20 0.34
AOC3 Q16853 1/20 0.34
MPO P05164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
DAO P14920 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
SCHEMBL29468590 0.85 IDO1 (0.43) TRPV1ALDH1A1LMNAMAOBRIPK1
SCHEMBL780405 0.82 TAAR1 (0.42) TRPV1TAAR1ALDH1A1LMNAMAOB
SCHEMBL779441 0.78 TAAR1 (0.44) TRPV1TAAR1ALDH1A1LMNAMAOB
SCHEMBL776837 0.77 CETP (0.49) TAAR1ALDH1A1LMNARIPK1MEN1
SCHEMBL779442 0.74 PKM (0.47) TRPV1TAAR1ALDH1A1LMNAMAOB
SCHEMBL780406 0.72 TAAR1 (0.44) TRPV1TAAR1LMNAMAOBRIPK1
SCHEMBL777126 0.70 KMT2A (0.39) TRPV1TAAR1ALDH1A1LMNAMEN1
SCHEMBL8235305 0.68 TAAR1 (0.56) TRPV1TAAR1MAOBMEN1KMT2A
SCHEMBL776838 0.68 TAAR1 (0.42) TAAR1
SCHEMBL28694560 0.67 TAAR1 (0.60) TAAR1ALDH1A1LMNAMAOBPARP15

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
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed