⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18125186 | 1.00 | — | — | |
| SCHEMBL6881625 | 1.00 | — | — | |
| SCHEMBL12209935 | 1.00 | — | — | |
| SCHEMBL18125197 | 1.00 | — | — | |
| SCHEMBL18125180 | 1.00 | — | — | |
| SCHEMBL18124779 | 1.00 | — | — | |
| SCHEMBL1657122 | 1.00 | — | — | |
| SCHEMBL12173809 | 0.92 | SPHK1 (0.50) | — | |
| SCHEMBL1658298 | 0.92 | SPHK1 (0.50) | — | |
| SCHEMBL27818076 | 0.90 | ACE2 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170281627-A1 | TOLL LIKE RECEPTOR MODULATOR COMPOUNDS | GILEAD SCIENCES, INC. | 2017-10-05 | — | — | US | disclosed |
| US-9670205-B2 | Toll like receptor modulator compounds | GILEAD SCIENCES, INC. (US) | 2017-06-06 | — | — | US | disclosed |
| US-20170071944-A1 | MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. | 2017-03-16 | — | — | US | disclosed |
| US-20160289229-A1 | TOLL LIKE RECEPTOR MODULATOR COMPOUNDS | GILEAD SCIENCES, INC. | 2016-10-06 | — | — | US | disclosed |
| EP-2295442-A2 | Inhibitors of interleukin-1beta converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-16 | — | — | EP | disclosed |