⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26569103 | 0.96 | F9 (0.31) | — | |
| SCHEMBL26568462 | 0.95 | LIMK1 (0.32) | — | |
| SCHEMBL26569096 | 0.94 | F9 (0.31) | — | |
| SCHEMBL26585118 | 0.94 | LIMK1 (0.33) | — | |
| SCHEMBL26588366 | 0.92 | MCL1 (0.34) | — | |
| SCHEMBL26569830 | 0.92 | LIMK1 (0.34) | — | |
| SCHEMBL26569100 | 0.91 | PTPN1 (0.31) | — | |
| SCHEMBL26569195 | 0.91 | LIMK1 (0.31) | — | |
| SCHEMBL26588304 | 0.91 | MCL1 (0.35) | — | |
| SCHEMBL26588553 | 0.91 | MCL1 (0.35) | — |
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-2023182323-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-09-28 | — | — | WO | disclosed |