⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20198714 | 0.68 | — | — | |
| SCHEMBL7797375 | 0.67 | — | — | |
| SCHEMBL24204976 | 0.60 | — | — | |
| SCHEMBL29391840 | 0.59 | CYP1A2 (0.33) | — | |
| SCHEMBL6538667 | 0.58 | — | — | |
| SCHEMBL21952687 | 0.57 | — | — | |
| SCHEMBL3062842 | 0.55 | — | — | |
| SCHEMBL6275100 | 0.54 | TTR (0.33) | — | |
| SCHEMBL22452283 | 0.54 | — | — | |
| SCHEMBL24931610 | 0.53 | — | — |
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-20140142052-A1 | PHOSPHORYLATED POLYOLS, PYROPHOSPHATES, AND DERIVATIVES THEREOF HAVING BIOLOGICAL ACTIVITY | NORMOXYS, INC. (US) | 2014-05-22 | — | — | US | disclosed |