⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20350072 | 0.76 | — | — | |
| SCHEMBL12825303 | 0.76 | — | — | |
| SCHEMBL22056591 | 0.70 | — | — | |
| SCHEMBL14767651 | 0.70 | TRPA1 (0.30) | — | |
| SCHEMBL14516394 | 0.68 | — | — | |
| SCHEMBL13711168 | 0.67 | — | — | |
| SCHEMBL24224324 | 0.66 | CHRM2 (0.36) | — | |
| SCHEMBL1270189 | 0.62 | — | — | |
| SCHEMBL1270187 | 0.62 | — | — | |
| SCHEMBL13909285 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3205659-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSIS COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2020-12-16 | — | — | EP | disclosed |