⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL789530 | 0.80 | — | — | |
| SCHEMBL4283438 | 0.72 | — | — | |
| Phosphoric Acid SCHEMBL5963499 | 0.69 | FDPS (0.37) | — | |
| SCHEMBL1471267 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL2461369 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL6247114 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL24767266 | 0.67 | — | — | |
| SCHEMBL105471 | 0.67 | — | — | |
| SCHEMBL711619 | 0.67 | — | — | |
| SCHEMBL3927423 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120095211-A1 | SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-04-19 | — | — | US | disclosed |