⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1607801 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL1118529 | 0.92 | TSHR (0.44) | — | |
| SCHEMBL8077519 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL8005897 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL8072036 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL1118622 | 0.90 | TSHR (0.48) | — | |
| SCHEMBL6601699 | 0.83 | — | — | |
| SCHEMBL11332774 | 0.78 | TSHR (0.41) | — | |
| SCHEMBL11335925 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL14351742 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017147410-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-9203113-B2 | Nonaqueous electrolyte solution, electrochemical element using same, and 1,2-dioxypropane compound used in same | UBE INDUSTRIES, LTD. (JP) | 2015-12-01 | — | — | US | disclosed |
| EP-2555309-B1 | NONAQUEOUS ELECTROLYTE SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND 1,2-DIOXYPROPANE COMPOUND USED IN SAME | UBE INDUSTRIES (JP) | 2015-02-25 | — | — | EP | disclosed |
| EP-2555309-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND 1,2-DIOXYPROPANE COMPOUND USED IN SAME | Ube Industries, Ltd. (JP) | 2013-02-06 | — | — | EP | disclosed |
| US-20130004862-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, ELECTROCHEMICAL ELEMENT USING SAME, AND 1,2-DIOXYPROPANE COMPOUND USED IN SAME | UBE INDUSTRIES LTD (JP) | 2013-01-03 | — | — | US | disclosed |
| EP-1066256-A1 | THE USE OF DERIVATIVES OF 2-OXOPYRROLE AS CROP PROTECTION AGENTS AND NOVEL 2-OXOPYRROLES | BASF AKTIENGESELLSCHAFT (DE) | 2001-01-10 | — | — | EP | disclosed |
| WO-1999055156-A2 | THE USE OF DERIVATIVES OF IMINOTRIAZOLE AS CROP PROTECTION AGENTS AND NOVEL IMINOTRIAZOLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-04 | — | — | WO | disclosed |
| WO-1999050243-A1 | THE USE OF DERIVATIVES OF 2-OXOPYRROLE AS CROP PROTECTION AGENTS AND NOVEL 2-OXOPYRROLES | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-07 | — | — | WO | disclosed |