⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25867688 | 0.95 | — | — | |
| SCHEMBL25866240 | 0.91 | PDK2 (0.32) | — | |
| SCHEMBL25866696 | 0.90 | CHRNA1 (0.30) | — | |
| SCHEMBL25866639 | 0.90 | DHFR (0.31) | — | |
| SCHEMBL25867006 | 0.89 | CHRNA1 (0.32) | — | |
| SCHEMBL25850639 | 0.88 | PDK2 (0.32) | — | |
| SCHEMBL25866634 | 0.88 | PDK2 (0.32) | — | |
| SCHEMBL25866554 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL25867533 | 0.88 | MEN1 (0.33) | — | |
| SCHEMBL25871253 | 0.87 | PDK2 (0.33) | — |
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-2023120714-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-06-29 | — | — | WO | disclosed |