⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2741434 | 0.78 | ERBB2 (0.33) | — | |
| SCHEMBL10066883 | 0.76 | — | — | |
| SCHEMBL2741458 | 0.71 | ERBB2 (0.33) | — | |
| SCHEMBL2741438 | 0.71 | ERBB2 (0.33) | — | |
| SCHEMBL2741421 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL2741435 | 0.70 | ERBB2 (0.34) | — | |
| SCHEMBL13466023 | 0.69 | — | — | |
| SCHEMBL26240266 | 0.69 | — | — | |
| SCHEMBL2741443 | 0.69 | KDM4E (0.39) | — | |
| SCHEMBL2741431 | 0.68 | FLT3 (0.32) | — |
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-4039774-B1 | ORGANIC LIGHT-EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING ELEMENT | NIPPON STEEL CHEMICAL & MAT CO LTD (JP) | 2023-09-20 | — | — | EP | disclosed |