⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28825053 | 0.86 | CYP1A2 (0.34) | — | |
| SCHEMBL29234884 | 0.81 | — | — | |
| SCHEMBL29234904 | 0.81 | — | — | |
| SCHEMBL28825055 | 0.77 | CHRNB4 (0.33) | — | |
| SCHEMBL29839561 | 0.69 | MAOA (0.35) | — | |
| SCHEMBL29234891 | 0.66 | — | — | |
| SCHEMBL28949497 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL14457932 | 0.60 | NOS1 (0.42) | — | |
| SCHEMBL3181135 | 0.59 | — | — | |
| SCHEMBL908799 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114805163-B | Method for synthesizing organic selenium compound | 西南石油大学 | 2024-06-21 | — | — | CN | disclosed |