⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11840355 | 0.81 | — | — | |
| SCHEMBL2884608 | 0.72 | ACHE (0.42) | — | |
| SCHEMBL2679546 | 0.71 | RAB9A (0.48) | — | |
| SCHEMBL69569 | 0.69 | — | — | |
| SCHEMBL1818068 | 0.69 | — | — | |
| SCHEMBL2650192 | 0.69 | KMT2A (0.44) | — | |
| SCHEMBL29483286 | 0.68 | CNR2 (0.43) | — | |
| SCHEMBL4063012 | 0.68 | KDM4E (0.46) | — | |
| SCHEMBL8110942 | 0.67 | — | — | |
| SCHEMBL3759085 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111936472-A | Anti-malarial hexahydropyrimidine analogues | UCB生物制药有限责任公司 | 2020-11-13 | — | — | CN | disclosed |
| US-8877778-B2 | Benzofurane compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-11-04 | — | — | US | disclosed |
| EP-2651929-A1 | NOVEL BENZOFURANE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| US-20120157449-A1 | BENZOFURANE COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2012-06-21 | — | — | US | disclosed |
| WO-2012080149-A1 | NOVEL BENZOFURANE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-21 | — | — | WO | disclosed |
| US-6642229-B2 | Treatment of adverse neurological conditions | MERCK SHARP & DOHME LTD. | 2003-11-04 | — | — | US | disclosed |
| US-20030176449-A1 | 3-Phenyl-imidazo-pyrimidine derivatives as ligands for gaba receptors | APPLIED MEDICAL RESOURCES CORPORATION | 2003-09-18 | — | — | US | disclosed |
| EP-1294723-A1 | 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001090108-A1 | 3-PHENYL-IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-29 | — | — | WO | disclosed |