⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL984926 | 0.69 | — | — | |
| SCHEMBL12255192 | 0.58 | — | — | |
| SCHEMBL1149885 | 0.58 | — | — | |
| SCHEMBL7098430 | 0.57 | — | — | |
| SCHEMBL7522453 | 0.56 | — | — | |
| SCHEMBL15826185 | 0.56 | — | — | |
| SCHEMBL4058581 | 0.56 | — | — | |
| SCHEMBL24399378 | 0.54 | — | — | |
| SCHEMBL9509 | 0.54 | — | — | |
| SCHEMBL2784389 | 0.54 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265406-B1 | VIRICIDES | DUPONT PHARMACEUTICALS COMPANY | 2001-07-24 | — | — | US | disclosed |
| US-6090821-A | ENZYME INHIBITORS; VIRICIDES | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 2000-07-18 | — | — | US | disclosed |