⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25878442 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL25869581 | 0.88 | NPC1 (0.32) | — | |
| SCHEMBL25845471 | 0.87 | KDM4E (0.32) | — | |
| SCHEMBL25869465 | 0.86 | KDM4E (0.31) | — | |
| SCHEMBL25878294 | 0.84 | TYMS (0.31) | — | |
| SCHEMBL25845583 | 0.83 | TYMS (0.31) | — | |
| SCHEMBL25878631 | 0.82 | ESR1 (0.30) | — | |
| SCHEMBL25869353 | 0.82 | NPC1 (0.30) | — | |
| SCHEMBL25869473 | 0.82 | CRHBP (0.31) | — | |
| SCHEMBL25869106 | 0.82 | — | — |
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 |