⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7511152 | 0.65 | BACE1 (0.33) | — | |
| SCHEMBL1270305 | 0.62 | — | — | |
| SCHEMBL131549 | 0.61 | — | — | |
| SCHEMBL17875020 | 0.53 | — | — | |
| SCHEMBL2887128 | 0.52 | TSHR (0.31) | — | |
| SCHEMBL173427 | 0.52 | BACE1 (0.36) | — | |
| SCHEMBL15876589 | 0.52 | — | — | |
| SCHEMBL18259747 | 0.52 | GSK3B (0.31) | — | |
| SCHEMBL9098062 | 0.50 | TDP1 (0.33) | — | |
| SCHEMBL1902844 | 0.48 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011027081-A2 | NOVEL DERIVATIVES OF 5,6,7,8-TETRAHYDROINDOLIZINE INHIBITING HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-03-10 | — | — | WO | disclosed |
| US-6894045-B2 | Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-05-17 | — | — | US | disclosed |
| US-6894045-B2 | Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-05-17 | — | — | US | disclosed |
| WO-2003005969-A3 | TETRAHYDROPURINONES AS CORTICOTROPIN RELEASING FACTOR | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-12-04 | — | — | WO | disclosed |
| US-20030149059-A1 | Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-08-07 | — | — | US | disclosed |
| US-20030149059-A1 | Tetrahydropurinones and derivatives thereof as corticotropin releasing factor receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-08-07 | — | — | US | disclosed |
| WO-2003005969-A2 | TETRAHYDROPURINONES AS CORTICOTROPIN RELEASING FACTOR | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2003-01-23 | — | — | WO | disclosed |