⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27351705 | 0.88 | — | — | |
| SCHEMBL24706766 | 0.86 | — | — | |
| SCHEMBL24973425 | 0.85 | — | — | |
| SCHEMBL26490592 | 0.85 | — | — | |
| SCHEMBL26492540 | 0.84 | — | — | |
| SCHEMBL27308185 | 0.84 | — | — | |
| SCHEMBL24999748 | 0.84 | AKT1 (0.35) | — | |
| SCHEMBL24999680 | 0.83 | AKT1 (0.36) | — | |
| SCHEMBL27308204 | 0.83 | MCL1 (0.30) | — | |
| SCHEMBL21188084 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023013900-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2023-02-09 | — | — | WO | disclosed |