⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4158964 | 0.82 | — | — | |
| SCHEMBL1515128 | 0.69 | — | — | |
| SCHEMBL7622675 | 0.69 | — | — | |
| SCHEMBL240566 | 0.67 | — | — | |
| SCHEMBL73158 | 0.67 | — | — | |
| SCHEMBL21114222 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL1437720 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL7739764 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL24385392 | 0.63 | — | — | |
| SCHEMBL19458943 | 0.63 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6969712-B2 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-11-29 | — | — | US | claimed |
| US-20040044056-A1 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-03-04 | — | — | US | claimed |
| EP-1342717-A1 | BENZIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-09-10 | — | — | EP | claimed |
| US-20160257686-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2016-09-08 | — | — | US | disclosed |
| US-8940771-B2 | Organic compounds | NOVARTIS AG (CH) | 2015-01-27 | — | — | US | disclosed |
| US-20140142099-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2014-05-22 | — | — | US | disclosed |
| EP-2240475-A1 | THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS | Novartis AG (CH) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009080694-A1 | THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-07-02 | — | — | WO | disclosed |
| US-20090163469-A1 | Organic Compounds | NOVARTIS AG | 2009-06-25 | — | — | US | disclosed |
| EP-2042502-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2009-04-01 | — | — | EP | disclosed |
| EP-1544199-B1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-7125877-B2 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-10-24 | — | — | US | disclosed |
| US-20060052361-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. | 2006-03-09 | — | — | US | disclosed |
| US-6969712-B2 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-11-29 | — | — | US | disclosed |
| EP-1544199-A1 | NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2005-06-22 | — | — | EP | disclosed |
| US-20050054645-A1 | Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | disclosed |
| EP-1505063-A1 | BENZIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-02-09 | — | — | EP | disclosed |
| US-20040044056-A1 | Benzimidazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-03-04 | — | — | US | disclosed |
| US-20030236267-A1 | Benzimidazole derivatives | MSD K.K. (JP) | 2003-12-25 | — | — | US | disclosed |
| EP-1342717-A1 | BENZIMIDAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-09-10 | — | — | EP | disclosed |