⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22313597 | 0.91 | RPS6KA3 (0.31) | — | |
| SCHEMBL22313934 | 0.91 | SLC16A3 (0.31) | — | |
| SCHEMBL22313936 | 0.90 | — | — | |
| SCHEMBL22313923 | 0.90 | — | — | |
| SCHEMBL22313599 | 0.88 | APP (0.37) | — | |
| SCHEMBL22314045 | 0.87 | — | — | |
| SCHEMBL22314064 | 0.86 | KDM4E (0.35) | — | |
| SCHEMBL22313582 | 0.85 | ALDH1A1 (0.37) | — | |
| SCHEMBL22313922 | 0.85 | MAPT (0.36) | — | |
| SCHEMBL22314029 | 0.84 | — | — |
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-20200248069-A1 | FLUORESCENT PROBE, PREPARATION METHOD THEREFOR AND USE THEREOF | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2020-08-06 | — | — | US | disclosed |