⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25444739 | 1.00 | — | — | |
| SCHEMBL25444683 | 0.96 | — | — | |
| SCHEMBL25444684 | 0.93 | — | — | |
| SCHEMBL25444720 | 0.89 | PDK2 (0.33) | — | |
| SCHEMBL25444719 | 0.89 | PDK2 (0.33) | — | |
| SCHEMBL11917684 | 0.88 | PDK2 (0.34) | — | |
| SCHEMBL25444682 | 0.86 | MMP2 (0.33) | — | |
| SCHEMBL25445690 | 0.86 | PDK2 (0.33) | — | |
| SCHEMBL13581279 | 0.85 | PDK2 (0.31) | — | |
| SCHEMBL25444670 | 0.85 | PDK2 (0.30) | — |
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-20230143779-A1 | ORGANIC SOLID-STATE LASER, COMPOUND AND USE THEREOF | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2023-05-11 | — | — | US | disclosed |