⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25445589 | 0.87 | PDK2 (0.32) | — | |
| SCHEMBL25445597 | 0.81 | PDK2 (0.31) | — | |
| SCHEMBL25444651 | 0.80 | XDH (0.34) | — | |
| SCHEMBL25444669 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL25444742 | 0.75 | PDK2 (0.36) | — | |
| SCHEMBL25445490 | 0.75 | PDK2 (0.33) | — | |
| SCHEMBL25444741 | 0.73 | PDK2 (0.38) | — | |
| SCHEMBL25444727 | 0.73 | — | — | |
| SCHEMBL25444728 | 0.73 | — | — | |
| SCHEMBL25445542 | 0.73 | MCL1 (0.33) | — |
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 |