⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9315601 | 0.79 | PARP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL9314771 | 0.77 | PARP1 (0.39) | — | |
| SCHEMBL1681314 | 0.69 | TRPA1 (0.36) | — | |
| SCHEMBL626635 | 0.66 | MAOA (0.44) | — | |
| Hydrochloric Acid SCHEMBL30361381 | 0.64 | MAOA (0.42) | — | |
| Hydrochloric Acid SCHEMBL4604472 | 0.64 | MAOA (0.42) | — | |
| Hydrochloric Acid SCHEMBL4604224 | 0.64 | MAOA (0.42) | — | |
| SCHEMBL28321113 | 0.64 | MAOA (0.42) | — | |
| SCHEMBL31586332 | 0.63 | TRPA1 (0.50) | — | |
| SCHEMBL283346 | 0.63 | TRPA1 (0.50) | — |
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-3940805-A1 | LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS COMPRISING SAME | Samsung Display Co., Ltd. (KR) | 2022-01-19 | — | — | EP | disclosed |