⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL761009 | 0.77 | — | — | |
| SCHEMBL8012516 | 0.73 | RAB9A (0.40) | — | |
| SCHEMBL27933672 | 0.71 | TDP1 (0.39) | — | |
| SCHEMBL28194790 | 0.70 | — | — | |
| SCHEMBL13570192 | 0.68 | GAA (0.48) | — | |
| SCHEMBL27597472 | 0.68 | TGM2 (0.47) | — | |
| SCHEMBL3083452 | 0.65 | — | — | |
| SCHEMBL197196 | 0.64 | PCSK9 (0.60) | — | |
| SCHEMBL6316147 | 0.63 | MAOB (0.40) | — | |
| Dimethylamine SCHEMBL385867 | 0.62 | TSHR (0.39) | — |
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-5342851-A | Useful in methods of treating reperfusion thrombosis injury | MCNEIL-PPC, INC. (US) | 1994-08-30 | — | — | US | disclosed |