⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7230216 | 0.88 | HTT (0.32) | — | |
| SCHEMBL7848573 | 0.88 | HTT (0.32) | — | |
| SCHEMBL7239010 | 0.78 | CYP1A2 (0.35) | — | |
| SCHEMBL7853547 | 0.78 | CYP1A2 (0.35) | — | |
| SCHEMBL7241105 | 0.76 | HTT (0.39) | — | |
| SCHEMBL7240247 | 0.76 | HTT (0.39) | — | |
| SCHEMBL6697196 | 0.74 | CHRM2 (0.33) | — | |
| SCHEMBL4321037 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL7230115 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL7829651 | 0.73 | ALDH1A1 (0.38) | — |
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-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 |