⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27287546 | 0.87 | MAOA (0.31) | — | |
| SCHEMBL27288323 | 0.82 | — | — | |
| SCHEMBL19082048 | 0.79 | BRDT (0.32) | — | |
| SCHEMBL19081790 | 0.79 | BRDT (0.33) | — | |
| SCHEMBL27334472 | 0.78 | ALOX5 (0.41) | — | |
| SCHEMBL22544912 | 0.77 | MAOA (0.38) | — | |
| SCHEMBL20334552 | 0.77 | PSD (0.38) | — | |
| SCHEMBL17931897 | 0.77 | PSD (0.40) | — | |
| SCHEMBL24236225 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL18268558 | 0.75 | GPR3 (0.35) | — |
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-2024010167-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2024-01-11 | — | — | WO | disclosed |