⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2425975 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1071385 | 0.68 | — | — | |
| SCHEMBL5692518 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL5693272 | 0.65 | — | — | |
| SCHEMBL24939112 | 0.59 | — | — | |
| SCHEMBL2790345 | 0.59 | — | — | |
| SCHEMBL15654286 | 0.59 | — | — | |
| SCHEMBL1954837 | 0.59 | — | — | |
| SCHEMBL4201120 | 0.59 | — | — | |
| SCHEMBL789445 | 0.58 | GRM2 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2041159-B1 | MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS | ANGELETTI P IST RICHERCHE BIO (IT) | 2011-09-28 | — | — | EP | disclosed |