⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25445597 | 0.87 | PDK2 (0.31) | — | |
| SCHEMBL25445872 | 0.87 | PDK2 (0.33) | — | |
| SCHEMBL25445440 | 0.86 | ESR1 (0.35) | — | |
| SCHEMBL25445770 | 0.85 | PDK2 (0.31) | — | |
| SCHEMBL25445460 | 0.83 | ESR1 (0.35) | — | |
| SCHEMBL25445636 | 0.80 | CTSS (0.34) | — | |
| SCHEMBL25445642 | 0.79 | ESR1 (0.33) | — | |
| SCHEMBL25445468 | 0.77 | ESR1 (0.37) | — | |
| SCHEMBL25445650 | 0.77 | ESR1 (0.31) | — | |
| SCHEMBL25445458 | 0.75 | ESR1 (0.36) | — |
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 |