SCHEMBL227437

SCHEMBL227437

I[Ni]I.c1ccc(CCCn2ccnc2)cc1.c1ccc(CCCn2ccnc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.63
TBXAS1 P24557 3/20 0.61
HMOX1 P09601 2/20 0.57
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
QPCT Q16769 1/20 0.56
CYP4Z1 Q86W10 1/20 0.56
QPCTL Q9NXS2 1/20 0.56

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
SCHEMBL3160306 0.94 CYP19A1 (0.71) CYP19A1TBXAS1HMOX1CYP1A2POLB
Hydrochloric Acid SCHEMBL411704 0.92 CYP19A1 (0.69) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL230077 0.91 CYP19A1 (0.63) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL6030852 0.89 HMOX1 (0.71) CYP19A1TBXAS1HMOX1CYP1A2POLB
Hydrochloric Acid SCHEMBL9996042 0.87 HMOX1 (0.69) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL12045329 0.87 HMOX1 (0.69) CYP19A1TBXAS1HMOX1CYP1A2POLB
Hydrochloric Acid SCHEMBL9996078 0.86 HMOX1 (0.68) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL409741 0.83 HMOX1 (0.72) CYP19A1TBXAS1HMOX1CYP1A2POLB
SCHEMBL7868470 0.82 QPCT (0.59) CYP19A1TBXAS1HMOX1QPCT
Hydrochloric Acid SCHEMBL7527357 0.82 HMOX1 (0.70) CYP19A1TBXAS1HMOX1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011734-B2 Ligand exchange thermochromic, (LETC), systems PLEOTINT, L.L.C. (US) 2015-04-21 US disclosed
EP-2082005-B9 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2013-05-22 EP 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
EP-2082005-B1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT LLC (US) 2012-08-01 EP 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-2436750-A2 Ligand exchange thermochromic, (LETC), systems Pleotint, L.L.C. (US) 2012-04-04 EP 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
EP-2082005-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS Pleotint, L.L.C. (US) 2009-07-29 EP 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-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-20080106781-A1 LIGAND EXCHANGE THERMOCHROMIC SYSTEMS CONTAINING EXCHANGE METALS 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
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed