⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23770254 | 0.96 | CA12 (0.31) | — | |
| SCHEMBL23769898 | 0.96 | CHRNA1 (0.30) | — | |
| SCHEMBL23233144 | 0.96 | CHRNA1 (0.30) | — | |
| SCHEMBL23770230 | 0.95 | — | — | |
| SCHEMBL24963801 | 0.95 | CHRNA1 (0.31) | — | |
| SCHEMBL24963827 | 0.95 | CHRNA1 (0.31) | — | |
| SCHEMBL23769874 | 0.94 | ALOX5 (0.31) | — | |
| SCHEMBL24965038 | 0.93 | — | — | |
| SCHEMBL23769857 | 0.93 | MMP12 (0.32) | — | |
| SCHEMBL23769899 | 0.92 | ALOX5 (0.31) | — |
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-20210253546-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO.,LTD. (JP) | 2021-08-19 | — | — | US | disclosed |