⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28042512 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL27337636 | 0.73 | — | — | |
| SCHEMBL20305999 | 0.73 | — | — | |
| SCHEMBL21133402 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL18814123 | 0.67 | — | — | |
| SCHEMBL4584137 | 0.65 | — | — | |
| SCHEMBL1446836 | 0.65 | — | — | |
| SCHEMBL19905045 | 0.64 | — | — | |
| SCHEMBL25160051 | 0.64 | — | — | |
| SCHEMBL24289384 | 0.63 | FAAH (0.38) | — |
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-2020040434-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-02-27 | — | — | WO | disclosed |