⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14700113 | 0.78 | — | — | |
| SCHEMBL1410546 | 0.75 | — | — | |
| SCHEMBL2722494 | 0.75 | — | — | |
| SCHEMBL13354935 | 0.75 | — | — | |
| SCHEMBL237033 | 0.73 | — | — | |
| SCHEMBL13711429 | 0.73 | — | — | |
| SCHEMBL19047267 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL237034 | 0.73 | — | — | |
| SCHEMBL10607425 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL18770277 | 0.73 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-11209438-B2 | Fluorescent methods and materials for directed biomarker signal amplification | BECTON, DICKINSON AND COMPANY (US) | 2021-12-28 | — | — | US | disclosed |