⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23919264 | 0.90 | TDP1 (0.32) | — | |
| SCHEMBL23919471 | 0.88 | — | — | |
| SCHEMBL23919412 | 0.87 | PGR (0.32) | — | |
| SCHEMBL23919281 | 0.85 | MEN1 (0.32) | — | |
| SCHEMBL23919263 | 0.84 | PGR (0.31) | — | |
| SCHEMBL23278353 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL23919260 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL17036295 | 0.82 | ALOX5 (0.39) | — | |
| SCHEMBL23919259 | 0.81 | TDP1 (0.30) | — | |
| SCHEMBL23919261 | 0.81 | CYP1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210320251-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPLIANCE | IDEMITSU KOSAN CO.,LTD. (JP) | 2021-10-14 | — | — | US | disclosed |