SCHEMBL2964967

SCHEMBL2964967

OCc1cc(C(F)(F)F)c(CO)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KIF11 P52732 1/20 0.39
IDO1 P14902 3/20 0.36
TRPV1 Q8NER1 1/20 0.34
POLQ O75417 4/20 0.33
NOTUM Q6P988 3/20 0.33
CES2 O00748 2/20 0.31
KLF10 Q13118 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL21490281 0.95 HSP90AA1 (0.40) HSP90AA1HSP90AB1KIF11IDO1TRPV1
SCHEMBL13434366 0.82 HTR2A (0.56)
SCHEMBL2961793 0.82 HSP90AA1 (0.34) HSP90AA1HSP90AB1KIF11
SCHEMBL3873033 0.80 KIF11 (0.47) HSP90AA1HSP90AB1KIF11IDO1TRPV1
SCHEMBL19491471 0.80 KIF11 (0.40) HSP90AA1HSP90AB1KIF11IDO1POLQ
SCHEMBL695215 0.79 IDO1 (0.43) HSP90AA1HSP90AB1KIF11IDO1NOTUM
SCHEMBL21490279 0.79 KIF11 (0.34) HSP90AA1HSP90AB1KIF11TRPV1
SCHEMBL1993639 0.79 CES2 (0.52) IDO1POLQCES2
SCHEMBL3278241 0.79 IDO1 (0.61) KIF11IDO1POLQSLC6A2SLC6A4
SCHEMBL2297172 0.79 KIF11 (0.39) HSP90AA1HSP90AB1KIF11IDO1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8298830-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-30 US disclosed
US-20100310424-A1 ORGANIC MATERIALS ABLE TO DETECT ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-09 US disclosed
US-7759127-B2 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-20 US disclosed
US-7700366-B2 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-04-20 US disclosed
US-7700366-B2 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-04-20 US disclosed
US-20060073607-A1 Organic materials able to detect analytes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-04-06 US disclosed
US-20050196775-A1 Fluorescent, semi-conductive polymers, and devices comprising them MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-08 US disclosed