⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30440628 | 0.95 | SLC6A4 (0.33) | — | |
| SCHEMBL26968054 | 0.83 | — | — | |
| SCHEMBL30440641 | 0.82 | — | — | |
| SCHEMBL31169270 | 0.72 | PIM1 (0.34) | — | |
| SCHEMBL329359 | 0.72 | HRH3 (0.33) | — | |
| SCHEMBL31011139 | 0.72 | — | — | |
| SCHEMBL11897011 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL23754206 | 0.67 | LMNA (0.39) | — | |
| SCHEMBL1123235 | 0.67 | LMNA (0.46) | — | |
| SCHEMBL31169221 | 0.66 | PIM1 (0.39) | — |
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-113195550-B | Modifier, modified conjugated diene polymer containing the modifier, and method for producing the polymer | 株式会社LG化学 | 2023-03-28 | — | — | CN | disclosed |