⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261665 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL28411732 | 0.76 | — | — | |
| SCHEMBL28051174 | 0.76 | — | — | |
| SCHEMBL305992 | 0.76 | — | — | |
| SCHEMBL29042198 | 0.75 | — | — | |
| SCHEMBL27639955 | 0.74 | — | — | |
| SCHEMBL29282718 | 0.74 | — | — | |
| SCHEMBL29157685 | 0.74 | — | — | |
| Fluoromethane SCHEMBL28107511 | 0.72 | — | — | |
| SCHEMBL10340727 | 0.72 | — | — |
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-114924335-A | Temperature control self-destruction type photonic crystal label | 深圳先进技术研究院 | 2022-08-19 | — | — | CN | claimed |