⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4629841 | 0.84 | — | — | |
| SCHEMBL393673 | 0.72 | CYP3A4 (0.35) | — | |
| SCHEMBL393672 | 0.72 | AKR1B10 (0.42) | — | |
| SCHEMBL390379 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL305059 | 0.70 | CNR2 (0.31) | — | |
| SCHEMBL7840759 | 0.69 | ADRA2A (0.32) | — | |
| SCHEMBL667038 | 0.67 | ADRA2A (0.30) | — | |
| SCHEMBL4334244 | 0.65 | MGAM (0.46) | — | |
| SCHEMBL12296672 | 0.64 | NAAA (0.50) | — | |
| SCHEMBL28060050 | 0.63 | ACHE (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101590-B2 | 9-aminocarbonylsubstituted derivatives of glycylcyclines | WYETH LLC (US) | 2012-01-24 | — | — | US | disclosed |
| EP-1919879-A1 | 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES | Wyeth a Corporation of the State of Delaware (US) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007027599-A1 | 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES | WYETH (US) | 2007-03-08 | — | — | WO | disclosed |
| US-20070049564-A1 | 9-Aminocarbonylsubstituted derivatives of glycylcyclines | WYETH (US) | 2007-03-01 | — | — | US | disclosed |