⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2146054 | 0.64 | — | — | |
| SCHEMBL404882 | 0.50 | — | — | |
| SCHEMBL3874742 | 0.50 | MAPT (0.38) | — | |
| SCHEMBL1468768 | 0.47 | — | — | |
| Ligustrazine SCHEMBL77624 | 0.45 | LMNA (0.41) | — | |
| SCHEMBL11218163 | 0.42 | ACHE (0.30) | — | |
| SCHEMBL18205013 | 0.42 | — | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.42 | RXFP1 (0.33) | — | |
| SCHEMBL17581108 | 0.39 | — | — | |
| Hexamethylbenzene SCHEMBL10609849 | 0.39 | RXFP1 (0.31) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2580223-B1 | COMPLEXES OF IMIDAZOLE LIGANDS | AIR PROD & CHEM (US) | 2017-02-08 | — | — | EP | disclosed |
| US-9018387-B2 | Complexes of imidazole ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2015-04-28 | — | — | US | disclosed |
| US-8680289-B2 | Complexes of imidazole ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2014-03-25 | — | — | US | disclosed |
| EP-2580223-A1 | COMPLEXES OF IMIDAZOLE LIGANDS | Air Products and Chemicals, Inc. (US) | 2013-04-17 | — | — | EP | disclosed |
| US-20130078391-A1 | Complexes Of Imidazole Ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-03-28 | — | — | US | disclosed |
| US-20120121806-A1 | Complexes Of Imidazole Ligands | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-05-17 | — | — | US | disclosed |
| WO-2011156699-A1 | COMPLEXES OF IMIDAZOLE LIGANDS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2011-12-15 | — | — | WO | disclosed |
| US-5817724-A | Olefin polymerization method using a highly active catalyst having a multidentate ligand | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1998-10-06 | — | — | US | disclosed |
| EP-0617052-B1 | Olefin polymerization catalyst having a multidentate ligand | ASAHI CHEMICAL IND (JP) | 1998-06-03 | — | — | EP | disclosed |
| EP-0816386-A2 | Olefin polymerization catalyst having a multidentate ligand | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1998-01-07 | — | — | EP | disclosed |
| EP-0617052-A2 | Olefin polymerization catalyst having a multidentate ligand | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1994-09-28 | — | — | EP | disclosed |