⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1756939 | 0.71 | — | — | |
| SCHEMBL6718322 | 0.67 | — | — | |
| SCHEMBL3061165 | 0.67 | — | — | |
| SCHEMBL2426437 | 0.64 | — | — | |
| SCHEMBL3061163 | 0.64 | — | — | |
| SCHEMBL10856851 | 0.64 | — | — | |
| SCHEMBL30314 | 0.64 | — | — | |
| SCHEMBL3411437 | 0.62 | — | — | |
| SCHEMBL1259464 | 0.62 | — | — | |
| SCHEMBL3661844 | 0.62 | — | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | claimed |
| US-7951816-B2 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-05-31 | — | — | US | claimed |
| EP-3957627-B1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | SHIONOGI & CO (JP) | 2024-06-19 | — | — | EP | disclosed |
| EP-4371979-A1 | FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT | Kumiai Chemical Industry Co., Ltd. (JP) | 2024-05-22 | — | — | EP | disclosed |
| CN-117693500-A | Carboxamide derivative and agricultural/horticultural plant disease control agent | 组合化学工业株式会社 | 2024-03-12 | — | — | CN | disclosed |
| US-11685740-B2 | Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2023-06-27 | — | — | US | disclosed |
| WO-2023286855-A1 | FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT | クミアイ化学工業株式会社 | 2023-01-19 | — | — | WO | disclosed |
| WO-2022119899-A1 | A MEDICAMENT FOR TREATING MYCOBACTERIAL INFECTION CHARACTERIZED BY COMBINING A CYTOCHROME BC1 INHIBITOR WITH CLARITHROMYCIN OR AZITHROMYCIN | SHIONOGI & CO., LTD. (JP) | 2022-06-09 | — | — | WO | disclosed |
| EP-3957627-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | Shionogi & Co., Ltd (JP) | 2022-02-23 | — | — | EP | disclosed |
| US-20210317125-A1 | BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-10-14 | — | — | US | disclosed |
| US-20210292283-A1 | 6-MEMBERED HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2021-09-23 | — | — | US | disclosed |
| US-20080039452-A1 | Fused Quinoline Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-14 | — | — | US | disclosed |
| US-20080009495-A1 | Compound Containing Basic Group and Use Thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-01-10 | — | — | US | disclosed |
| EP-1790639-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-05-30 | — | — | EP | disclosed |
| EP-1740584-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105802-A1 | FUSED QUINOLINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | disclosed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | disclosed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | disclosed |