⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24030846 | 0.86 | — | — | |
| SCHEMBL24030800 | 0.69 | — | — | |
| SCHEMBL11444579 | 0.59 | SLC6A2 (0.54) | — | |
| SCHEMBL30241451 | 0.58 | ALDH1A1 (0.48) | — | |
| SCHEMBL329525 | 0.58 | ALDH1A1 (0.48) | — | |
| SCHEMBL24030845 | 0.58 | HPGD (0.44) | — | |
| SCHEMBL21115727 | 0.57 | CYP1A2 (0.45) | — | |
| SCHEMBL31384148 | 0.56 | ENPP2 (0.48) | — | |
| SCHEMBL25649603 | 0.56 | MAOA (0.43) | — | |
| SCHEMBL20205472 | 0.56 | CDC14B (0.43) | — |
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-2021230690-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |