SCHEMBL2399155

SCHEMBL2399155

CCCCCC1=C(CF)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
ALOX5 P09917 10/20 0.33
MPEG1 Q2M385 7/20 0.33
CDC25A P30304 6/20 0.33
CDC25B P30305 6/20 0.33
CDC25C P30307 5/20 0.33
XIAP P98170 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PTGES O14684 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
SCHEMBL7187409 0.86 SCD (0.40) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL4441878 0.85 ALDH1A1 (0.39) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL4297676 0.81 ALDH1A1 (0.40) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL5234137 0.79 ALDH1A1 (0.39) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL4237197 0.77 ALDH1A1 (0.46) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL28724654 0.77 ALDH1A1 (0.38) ALDH1A1TDP1LMNAPOLBRECQL
Lithium Ion SCHEMBL8677043 0.75 GPR84 (0.46) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL114204 0.75 ALDH1A1 (0.41) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL7175309 0.74 ALDH1A1 (0.38) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL2142693 0.74 ALDH1A1 (0.38) ALDH1A1TDP1LMNAPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8252559-B2 Methods and systems for selective fluorination of organic molecules THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-08-28 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-8026085-B2 Methods and systems for selective fluorination of organic molecules CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-09-27 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
US-20090209010-A1 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-08-20 US disclosed
EP-2069513-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES California Institute of Technology (US) 2009-06-17 EP disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
US-20090061471-A1 Methods and systems for selective fluorination of organic molecules INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2009-03-05 US disclosed
WO-2008016709-A9 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INST OF TECHN (US) 2008-05-29 WO disclosed
WO-2008016709-A2 METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-02-07 WO disclosed