⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19936352 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL16543564 | 0.69 | — | — | |
| SCHEMBL18406035 | 0.67 | — | — | |
| SCHEMBL19594684 | 0.67 | — | — | |
| SCHEMBL10056198 | 0.67 | — | — | |
| SCHEMBL16621969 | 0.67 | — | — | |
| SCHEMBL19074555 | 0.65 | — | — | |
| SCHEMBL24178341 | 0.65 | — | — | |
| SCHEMBL19936347 | 0.65 | — | — | |
| SCHEMBL16229568 | 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 |
|---|---|---|---|---|---|---|---|
| US-20200399534-A1 | Photo-Activatable Aggregation-Induced Emission Probe with In-Situ Generation Capability, Preparation Method Therefor and Application Thereof | SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) | 2020-12-24 | — | — | US | disclosed |