⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3263237 | 0.88 | — | — | |
| SCHEMBL28151165 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL170994 | 0.71 | CYP1A2 (0.32) | — | |
| Acrylic Acid SCHEMBL29264440 | 0.66 | TSHR (0.42) | — | |
| SCHEMBL2321681 | 0.65 | TDP1 (0.34) | — | |
| SCHEMBL28151162 | 0.65 | SMPD1 (0.34) | — | |
| SCHEMBL1744749 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL8656780 | 0.64 | BBOX1 (0.35) | — | |
| SCHEMBL28288785 | 0.64 | SMPD1 (0.34) | — | |
| SCHEMBL2321002 | 0.64 | SMPD1 (0.30) | — |
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-20050187192-A1 | Phospholipids for the treatment of infection by togaviruses, herpes viruses and coronaviruses | KUCERA PHARMACEUTICAL COMPANY | 2005-08-25 | — | — | US | disclosed |