⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22170447 | 0.77 | — | — | |
| SCHEMBL22170440 | 0.75 | — | — | |
| SCHEMBL22170418 | 0.71 | — | — | |
| SCHEMBL22170409 | 0.70 | SLC6A4 (0.35) | — | |
| SCHEMBL23286037 | 0.70 | PDE4B (0.34) | — | |
| SCHEMBL22170546 | 0.68 | SLC6A4 (0.32) | — | |
| SCHEMBL22170499 | 0.68 | — | — | |
| SCHEMBL22170603 | 0.67 | — | — | |
| SCHEMBL22170560 | 0.66 | — | — | |
| SCHEMBL22170528 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020138499-A1 | ALKYL-SUBSTITUTED COMPOUND | 大日本住友製薬株式会社 | 2020-07-02 | — | — | WO | disclosed |