⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7269299 | 0.90 | — | — | |
| SCHEMBL7268778 | 0.87 | — | — | |
| Oxalic Acid SCHEMBL7267158 | 0.85 | — | — | |
| SCHEMBL7274622 | 0.82 | — | — | |
| Oxalic Acid SCHEMBL7274616 | 0.82 | — | — | |
| SCHEMBL7267635 | 0.80 | — | — | |
| Oxalic Acid SCHEMBL7268389 | 0.77 | — | — | |
| Oxalic Acid SCHEMBL7266693 | 0.76 | — | — | |
| SCHEMBL9718580 | 0.72 | — | — | |
| SCHEMBL9718556 | 0.71 | — | — |
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-5135935-A | Anticholesterol agents | MERCK & CO., INC. (US) | 1992-08-04 | — | — | US | disclosed |