⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL517467 | 1.00 | — | — | |
| SCHEMBL265462 | 1.00 | — | — | |
| SCHEMBL10137669 | 1.00 | — | — | |
| SCHEMBL12439903 | 1.00 | — | — | |
| SCHEMBL14262195 | 1.00 | — | — | |
| SCHEMBL14085999 | 1.00 | — | — | |
| SCHEMBL10304232 | 1.00 | — | — | |
| SCHEMBL6915031 | 0.97 | EPHX1 (0.54) | — | |
| SCHEMBL6918473 | 0.97 | EPHX1 (0.60) | — | |
| SCHEMBL6907943 | 0.97 | EPHX1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023220715-A1 | OXOINDOLINYL AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF | VENTUS THERAPEUTICS U.S., INC. (US) | 2023-11-16 | — | — | WO | disclosed |
| US-9062028-B2 | Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-06-23 | — | — | US | disclosed |
| US-20140080788-A1 | NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY | 2014-03-20 | — | — | US | disclosed |
| EP-2415765-A1 | PYRIMIDINE COMPOUND | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |
| US-7951793-B2 | Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-31 | — | — | US | disclosed |
| US-7884074-B2 | Compounds and methods for prevention and/or treatment of inflammation using the same | Ikaria Development Subsidiary Two, LLC (US) | 2011-02-08 | — | — | US | disclosed |
| WO-2010113834-A1 | PYRIMIDINE COMPOUND | アステラス製薬株式会社 (JP) | 2010-10-07 | — | — | WO | disclosed |
| US-20070287713-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY | 2007-12-13 | — | — | US | disclosed |
| US-7279485-B2 | Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-09 | — | — | US | disclosed |