⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20040204 | 0.86 | MAOA (0.30) | — | |
| SCHEMBL20040203 | 0.86 | PDK2 (0.36) | — | |
| SCHEMBL19917229 | 0.79 | — | — | |
| SCHEMBL24060685 | 0.78 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL18721177 | 0.78 | — | — | |
| SCHEMBL21156247 | 0.78 | — | — | |
| SCHEMBL18721058 | 0.77 | — | — | |
| SCHEMBL21156747 | 0.77 | — | — | |
| SCHEMBL17244787 | 0.77 | — | — | |
| SCHEMBL18721178 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3500577-B1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2021-12-01 | — | — | EP | disclosed |