⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4865780 | 0.69 | — | — | |
| SCHEMBL10656026 | 0.64 | — | — | |
| SCHEMBL2074486 | 0.62 | HTR3A (0.35) | — | |
| SCHEMBL1424748 | 0.57 | — | — | |
| SCHEMBL1945885 | 0.55 | — | — | |
| SCHEMBL2045961 | 0.55 | — | — | |
| SCHEMBL1338455 | 0.43 | HRH3 (0.35) | — | |
| SCHEMBL9980882 | 0.42 | — | — | |
| SCHEMBL44900 | 0.37 | — | — | |
| SCHEMBL23044067 | 0.35 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230111914-A1 | SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF | REATA PHARMACEUTICALS, INC. | 2023-04-13 | — | — | US | claimed |
| CN-115087660-A | Synthetic triterpenoids with nitrogen-based substituents at C-17 and methods of use thereof | 里亚塔医药公司 | 2022-09-20 | — | — | CN | claimed |
| WO-2021127480-A1 | SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF | REATA PHARMACEUTICALS, INC. (US) | 2021-06-24 | — | — | WO | claimed |
| US-20100286181-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | claimed |
| CN-101558066-A | Pyrrole derivatives with antibacterial activity | ASTRAZENECA AB (SE) | 2009-10-14 | — | — | CN | claimed |
| EP-2064209-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | AstraZeneca AB (SE) | 2009-06-03 | — | — | EP | claimed |
| WO-2008020222-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | claimed |
| US-20230111914-A1 | SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF | REATA PHARMACEUTICALS, INC. | 2023-04-13 | — | — | US | disclosed |
| CN-115087660-A | Synthetic triterpenoids with nitrogen-based substituents at C-17 and methods of use thereof | 里亚塔医药公司 | 2022-09-20 | — | — | CN | disclosed |
| WO-2021127480-A1 | SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF | REATA PHARMACEUTICALS, INC. (US) | 2021-06-24 | — | — | WO | disclosed |
| US-20100286181-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | disclosed |
| CN-101558066-A | Pyrrole derivatives with antibacterial activity | ASTRAZENECA AB (SE) | 2009-10-14 | — | — | CN | disclosed |
| EP-2064209-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | AstraZeneca AB (SE) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008020222-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |