SCHEMBL229426

SCHEMBL229426

CCCCCn1c(-c2ccccc2-c2nc3ccccc3n2CCCCC)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.68
TLR8 Q9NR97 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
SAE1 Q9UBE0 1/20 0.53
UBA2 Q9UBT2 1/20 0.53
CXCR4 P61073 1/20 0.53

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
SCHEMBL6142493 0.97 TP53 (0.65) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL6561933 0.90 ALDH1A1 (0.61) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL10005374 0.87 TLR8 (0.71) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL6810630 0.85 TLR8 (0.57) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL10826280 0.85 PPARG (0.59) TP53TLR8SMN1; SMN2GAAALDH1A1
Benzene SCHEMBL22771115 0.84 TP53 (0.57) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL18085346 0.84 TP53 (0.67) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL6912526 0.83 TLR8 (0.55) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL9274775 0.83 TLR8 (0.70) TP53TLR8SMN1; SMN2GAAALDH1A1
SCHEMBL20242949 0.83 TLR8 (0.70) TP53TLR8SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US claimed
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
US-8431045-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2013-04-30 US disclosed
US-20120292581-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS AND HIGH E LIGANDS FOR SAME PLEOTINT, LLC (US) 2012-11-22 US disclosed
US-8182718-B2 Ligand exchange thermochromic systems and high ε ligands for same PLEOTINT, L.L.C. (US) 2012-05-22 US disclosed
EP-2434000-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-03-28 EP disclosed
US-20120001134-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2012-01-05 US disclosed
US-8018639-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2011-09-13 US disclosed
US-20090283728-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2009-11-19 US disclosed
US-7542196-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2009-06-02 US disclosed
US-7538931-B2 Ligand exchange thermochromic systems containing exchange metals PLEOTINT, L.L.C. (US) 2009-05-26 US disclosed
US-7525717-B2 reversible; laminated; transition metal ion coordinated with a high epsilon ligand and a low epsilon ligand; polymer; separator; variable light transmission windows; polyvinyl butyral; nickel or cobalt iodide ligands; diol, triol or polyol ligands PLEOTINT, L.L.C. (US) 2009-04-28 US disclosed
US-20080106781-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS CONTAINING EXCHANGE METALS PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080105851-A1 Exhibiting a reversible change in absorbance of electromagnetic radiation as the temperature of the system is reversibly changed; comprising a transition metal ion and a ligand PLEOTINT, LLC (US) 2008-05-08 US disclosed
US-20080100903-A1 MULTI-LAYER LIGAND EXCHANGE THERMOCHROMIC SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed
US-20080100902-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, LLC (US) 2008-05-01 US disclosed