⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2744253 | 0.81 | DPP8 (0.32) | — | |
| SCHEMBL2743892 | 0.80 | KLK5 (0.34) | — | |
| Hydrochloric Acid SCHEMBL2744138 | 0.78 | DPP8 (0.41) | — | |
| SCHEMBL8229439 | 0.75 | CYP19A1 (0.33) | — | |
| SCHEMBL4297844 | 0.74 | CYP19A1 (0.32) | — | |
| SCHEMBL3249828 | 0.74 | TGM2 (0.34) | — | |
| SCHEMBL12325999 | 0.73 | DPP4 (0.32) | — | |
| SCHEMBL16418965 | 0.72 | ABHD6 (0.34) | — | |
| SCHEMBL12765400 | 0.72 | — | — | |
| SCHEMBL12726230 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027144-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | MSD ITALIA SRL (IT) | 2015-04-29 | — | — | EP | disclosed |
| US-8178520-B2 | Macrocyclic compounds as antiviral agents | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2012-05-15 | — | — | US | disclosed |
| US-20090258891-A1 | Macrocyclic Compounds As Antiviral Agents | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-10-15 | — | — | US | disclosed |