⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21537340 | 0.84 | CYP11B1 (0.38) | — | |
| SCHEMBL20352395 | 0.83 | — | — | |
| SCHEMBL21537801 | 0.82 | CYP11B1 (0.36) | — | |
| SCHEMBL21537719 | 0.81 | — | — | |
| SCHEMBL21757165 | 0.81 | CCR1 (0.38) | — | |
| SCHEMBL20352393 | 0.79 | CCR1 (0.30) | — | |
| SCHEMBL21537342 | 0.79 | CYP11B1 (0.39) | — | |
| SCHEMBL21537322 | 0.79 | CCR1 (0.36) | — | |
| SCHEMBL21537452 | 0.79 | CCR1 (0.38) | — | |
| SCHEMBL21537772 | 0.78 | CCR1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3561892-B1 | ORGANIC LIGHT-EMITTING DEVICE | LT MATERIALS CO LTD (KR) | 2023-05-10 | — | — | EP | disclosed |