⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214730 | 1.00 | — | — | |
| SCHEMBL6050020 | 1.00 | — | — | |
| SCHEMBL14048657 | 1.00 | — | — | |
| SCHEMBL463669 | 0.95 | — | — | |
| SCHEMBL6050015 | 0.86 | — | — | |
| SCHEMBL11880718 | 0.86 | — | — | |
| SCHEMBL1754791 | 0.83 | — | — | |
| SCHEMBL15083871 | 0.83 | — | — | |
| SCHEMBL8015061 | 0.83 | MIF (0.46) | — | |
| SCHEMBL10431178 | 0.83 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3204040-B1 | TREATMENT OF CANCER USING TLR9 AGONISTS AND CHECKPOINT INHIBITORS | IDERA PHARMACEUTICALS INC (US) | 2021-12-08 | — | — | EP | disclosed |
| US-7427639-B2 | β2-adrenergic receptor agonists | THERAVANCE, INC. (US) | 2008-09-23 | — | — | US | disclosed |
| US-20070196859-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-08-23 | — | — | US | disclosed |
| US-20070179179-A1 | Beta2-adrenergic receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2007-08-02 | — | — | US | disclosed |
| US-20070154948-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-07-05 | — | — | US | disclosed |
| US-20070134729-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-06-14 | — | — | US | disclosed |
| US-20070134729-A1 | Novel antibacterial agents | THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC | 2007-06-14 | — | — | US | disclosed |
| US-7217738-B2 | β2-adrenergic receptor agonists | THERAVANCE, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-6656589-B2 | Polyamide resin pellet for a miniature part | MITSUI CHEMICALS, INC. (JP) | 2003-12-02 | — | — | US | disclosed |
| US-20020115818-A1 | Polyamide resin pellet for a miniature part | MITSUI CHEMICALS, INC. (JP) | 2002-08-22 | — | — | US | disclosed |