SCHEMBL7053265

SCHEMBL7053265

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.42
TSHR P16473 4/20 0.41
NFKB1 P19838 2/20 0.41
PMP22 Q01453 1/20 0.41
SLC22A6 Q4U2R8 2/20 0.37
GPR84 Q9NQS5 4/20 0.35
CYP2D6 P10635 2/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
AKR1B1 P15121 1/20 0.35
FOLH1 Q04609 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARG P37231 5/20 0.34
PPARD Q03181 5/20 0.34
PPARA Q07869 5/20 0.34

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
SCHEMBL8733632 0.86 LMNA (0.33) ALDH1A1LMNASLC22A6
Ammonia Solution, Strong SCHEMBL6416238 0.84 THRB (0.32) LMNA
SCHEMBL814908 0.78 ALDH1A1 (0.54) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL2488500 0.78 ALDH1A1 (0.54) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL5269252 0.74
SCHEMBL11548111 0.74
SCHEMBL16028948 0.73 LMNA (0.46) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL12762074 0.72 THRB (0.46)
SCHEMBL2398354 0.71 ALDH1A1 (0.56) ALDH1A1LMNATSHRNFKB1PMP22
SCHEMBL9084950 0.70 LMNA (0.32) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO claimed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO disclosed