⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24385124 | 0.67 | CHRM2 (0.35) | — | |
| SCHEMBL24734297 | 0.67 | MAOB (0.32) | — | |
| SCHEMBL13176916 | 0.64 | CYP1A2 (0.32) | — | |
| SCHEMBL21763810 | 0.60 | — | — | |
| SCHEMBL23450707 | 0.59 | RAB9A (0.37) | — | |
| P-Xylene SCHEMBL31036032 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL3287696 | 0.58 | ACHE (0.73) | — | |
| SCHEMBL18661495 | 0.58 | ACHE (0.73) | — | |
| SCHEMBL197731 | 0.58 | ACHE (0.73) | — | |
| SCHEMBL23431173 | 0.57 | HPGD (0.30) | — |
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-3689888-B1 | ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME | SAMSUNG ELECTRONICS CO LTD (KR) | 2021-09-22 | — | — | EP | disclosed |