⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22806670 | 0.81 | — | — | |
| SCHEMBL15940025 | 0.80 | — | — | |
| SCHEMBL15526050 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL18087303 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL3831144 | 0.73 | — | — | |
| SCHEMBL14690356 | 0.73 | — | — | |
| SCHEMBL10448620 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL28613305 | 0.71 | — | — | |
| SCHEMBL10120696 | 0.71 | — | — | |
| SCHEMBL18343791 | 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-116209441-A | Novel amine derivatives | 住友制药株式会社 | 2023-06-02 | — | — | CN | disclosed |