⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4794996 | 0.79 | — | — | |
| SCHEMBL4283340 | 0.72 | — | — | |
| SCHEMBL16767673 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL10369569 | 0.71 | — | — | |
| SCHEMBL4283337 | 0.67 | — | — | |
| SCHEMBL16767735 | 0.67 | MAPT (0.34) | — | |
| SCHEMBL5672646 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL8525292 | 0.65 | — | — | |
| SCHEMBL486417 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL3654441 | 0.64 | POLB (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 |
|---|---|---|---|---|---|---|---|
| CN-115970736-A | Catalyst for preparing N-butyl-2, 6-tetramethyl-4-piperidylamine by reducing triacetonamine and application thereof | 常州大学 | 2023-04-18 | — | — | CN | disclosed |