⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30704942 | 1.00 | — | — | |
| SCHEMBL27390365 | 0.83 | POLB (0.36) | — | |
| SCHEMBL18129635 | 0.82 | — | — | |
| SCHEMBL31510820 | 0.78 | — | — | |
| SCHEMBL28290379 | 0.75 | ACE (0.43) | — | |
| SCHEMBL29205754 | 0.75 | — | — | |
| SCHEMBL28710548 | 0.72 | ABHD6 (0.33) | — | |
| SCHEMBL1846465 | 0.71 | — | — | |
| SCHEMBL23089827 | 0.69 | MEN1 (0.31) | — | |
| SCHEMBL18131929 | 0.66 | — | — |
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-116209441-A | Novel amine derivatives | 住友制药株式会社 | 2023-06-02 | — | — | CN | disclosed |