⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28150929 | 0.85 | — | — | |
| SCHEMBL28225286 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL286662 | 0.80 | — | — | |
| SCHEMBL647506 | 0.80 | — | — | |
| SCHEMBL28263337 | 0.78 | — | — | |
| SCHEMBL1072177 | 0.76 | — | — | |
| SCHEMBL31142104 | 0.73 | — | — | |
| SCHEMBL28458802 | 0.73 | KMT2A (0.42) | — | |
| SCHEMBL4657475 | 0.71 | — | — | |
| SCHEMBL31142039 | 0.71 | — | — |
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-117917281-A | Deolefination refining agent, preparation method thereof and aromatic hydrocarbon refining treatment method | 中国石油化工股份有限公司 | 2024-04-23 | — | — | CN | disclosed |