⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1592 | 1.00 | — | — | |
| SCHEMBL9421142 | 0.95 | — | — | |
| Acetic Acid SCHEMBL11167177 | 0.78 | — | — | |
| SCHEMBL6797891 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL17873731 | 0.74 | — | — | |
| SCHEMBL5247 | 0.71 | — | — | |
| SCHEMBL9767954 | 0.67 | — | — | |
| SCHEMBL5115 | 0.67 | — | — | |
| SCHEMBL2961894 | 0.67 | — | — | |
| SCHEMBL20555881 | 0.65 | — | — |
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-20050049240-A1 | Tetrahydroisochinolines, their production and the use thereof as analgesics | BAYER HEALTHCARE AG (DE) | 2005-03-03 | — | — | US | disclosed |