⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77661 | 0.96 | — | — | |
| SCHEMBL643771 | 0.92 | — | — | |
| SCHEMBL8774040 | 0.88 | — | — | |
| SCHEMBL6272382 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL8699529 | 0.81 | — | — | |
| SCHEMBL2490127 | 0.76 | ALDH1A1 (0.54) | — | |
| SCHEMBL1130190 | 0.76 | — | — | |
| SCHEMBL1238791 | 0.76 | — | — | |
| SCHEMBL8035402 | 0.76 | — | — | |
| SCHEMBL11478529 | 0.76 | — | — |
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-6518305-B1 | For inhibiting neuraminidases from disease- causing microorganisms, especially, influenza neuraminidase | ABBOTT LABORATORIES | 2003-02-11 | — | — | US | disclosed |
| WO-2001028979-A2 | INHIBITORS OF NEURAMINIDASES | ABBOTT LABORATORIES (US) | 2001-04-26 | — | — | WO | disclosed |
| EP-1087938-A1 | INHIBITORS OF NEURAMINIDASES | ABBOTT LABORATORIES (US) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999054290-A1 | INHIBITORS OF NEURAMINIDASES | ABBOTT LABORATORIES (US) | 1999-10-28 | — | — | WO | disclosed |