⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9616056 | 0.71 | — | — | |
| SCHEMBL28050916 | 0.67 | — | — | |
| SCHEMBL10566394 | 0.63 | MAOA (0.40) | — | |
| SCHEMBL9128830 | 0.63 | — | — | |
| SCHEMBL389549 | 0.63 | — | — | |
| SCHEMBL5848037 | 0.62 | — | — | |
| SCHEMBL9039149 | 0.61 | ADRA2A (0.31) | — | |
| SCHEMBL3885055 | 0.61 | — | — | |
| SCHEMBL8311400 | 0.61 | — | — | |
| Benzene SCHEMBL27953403 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119031913-A | Purine and methods of use thereof | 奇尼塔公司 | 2024-11-26 | — | — | CN | disclosed |
| US-4650881-A | ONE POT | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1987-03-17 | — | — | US | disclosed |