SCHEMBL2961793

SCHEMBL2961793

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KIF11 P52732 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
SCHEMBL2964967 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1KIF11
SCHEMBL21490281 0.78 HSP90AA1 (0.40) HSP90AA1HSP90AB1KIF11
SCHEMBL13434370 0.72 LMNA (0.33)
SCHEMBL2966677 0.67 LMNA (0.37)
SCHEMBL13434366 0.67 HTR2A (0.56)
SCHEMBL3873033 0.66 KIF11 (0.47) HSP90AA1HSP90AB1KIF11
SCHEMBL19491471 0.65 KIF11 (0.40) HSP90AA1HSP90AB1KIF11
SCHEMBL1993639 0.64 CES2 (0.52)
SCHEMBL21490279 0.64 KIF11 (0.34) HSP90AA1HSP90AB1KIF11
SCHEMBL695215 0.64 IDO1 (0.43) HSP90AA1HSP90AB1KIF11

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-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
WO-2005073338-A2 FLUORESCENT, SEMI-CONDUCTIVE POLYMERS, AND DEVICES COMPRISING THEM MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-08-11 WO disclosed