SCHEMBL2963352

SCHEMBL2963352

FC(F)(F)c1ccc(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)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
KIF11 P52732 6/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
EPHX2 P34913 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
PLAU P00749 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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
SCHEMBL673282 0.92 LMNA (0.43) LMNA
SCHEMBL28943097 0.90 ALDH1A1 (0.46) ALDH1A1TSHRKIF11CES2CES1
Perflexane SCHEMBL28307986 0.89 ALDH1A1 (0.50) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL6556363 0.83 LMNA (0.36) LMNA
SCHEMBL6048383 0.83 LMNA (0.36) LMNA
SCHEMBL24871109 0.81 LMNA (0.35) LMNA
SCHEMBL24870976 0.81 LMNA (0.35) LMNA
SCHEMBL11217955 0.81 TSHR (0.42) ALDH1A1TSHRKIF11LMNA
SCHEMBL24870926 0.81 LMNA (0.35) LMNA
SCHEMBL7138748 0.81 CA1 (0.41) 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 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