⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25656308 | 0.85 | PARP1 (0.31) | — | |
| SCHEMBL21537568 | 0.82 | PARP1 (0.35) | — | |
| SCHEMBL25656767 | 0.80 | — | — | |
| SCHEMBL20352624 | 0.80 | PARP1 (0.39) | — | |
| SCHEMBL21537460 | 0.79 | PARP1 (0.38) | — | |
| SCHEMBL25656620 | 0.78 | PARP1 (0.31) | — | |
| SCHEMBL25656609 | 0.78 | — | — | |
| SCHEMBL23016373 | 0.76 | TOP1 (0.35) | — | |
| SCHEMBL18809115 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL26453756 | 0.74 | PIM1 (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-3561892-B1 | ORGANIC LIGHT-EMITTING DEVICE | LT MATERIALS CO LTD (KR) | 2023-05-10 | — | — | EP | disclosed |