⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27266614 | 0.87 | CA12 (0.34) | — | |
| SCHEMBL24971825 | 0.87 | — | — | |
| SCHEMBL24972152 | 0.86 | CA12 (0.32) | — | |
| SCHEMBL24747734 | 0.85 | — | — | |
| SCHEMBL24845253 | 0.85 | — | — | |
| SCHEMBL24971551 | 0.84 | — | — | |
| SCHEMBL22132260 | 0.83 | — | — | |
| SCHEMBL24749542 | 0.83 | MCL1 (0.36) | — | |
| SCHEMBL24488501 | 0.83 | CA12 (0.32) | — | |
| SCHEMBL24705919 | 0.82 | ATM (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 |
|---|---|---|---|---|---|---|---|
| WO-2022259886-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE | 出光興産株式会社 | 2022-12-15 | — | — | WO | disclosed |