⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24385122 | 1.00 | — | — | |
| SCHEMBL14157902 | 0.87 | LMNA (0.38) | — | |
| SCHEMBL4648270 | 0.75 | — | — | |
| SCHEMBL19494202 | 0.75 | — | — | |
| SCHEMBL10005573 | 0.75 | — | — | |
| SCHEMBL16091001 | 0.75 | — | — | |
| SCHEMBL13082857 | 0.73 | — | — | |
| SCHEMBL911186 | 0.73 | — | — | |
| SCHEMBL12849093 | 0.73 | — | — | |
| SCHEMBL24972209 | 0.73 | ADH1B (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024044723-A1 | ENGINEERED RETRONS AND METHODS OF USE | RENAGADE THERAPEUTICS MANAGEMENT INC. (US) | 2024-02-29 | — | — | WO | disclosed |
| US-20220152037-A1 | USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF PAIN | NEUROCYCLE THERAPEUTICS, INC. | 2022-05-19 | — | — | US | disclosed |