⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19830603 | 1.00 | — | — | |
| SCHEMBL19830613 | 1.00 | — | — | |
| SCHEMBL19830723 | 1.00 | — | — | |
| SCHEMBL19830616 | 0.98 | — | — | |
| SCHEMBL19830352 | 0.98 | — | — | |
| SCHEMBL19830424 | 0.96 | — | — | |
| SCHEMBL19830535 | 0.96 | — | — | |
| SCHEMBL19830693 | 0.96 | SIRT2 (0.30) | — | |
| SCHEMBL19830703 | 0.96 | SIRT2 (0.30) | — | |
| SCHEMBL19830736 | 0.95 | SIRT2 (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-20180029983-A1 | COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO., LTD. (JP) | 2018-02-01 | — | — | US | disclosed |