⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5140300 | 0.81 | GABRA1 (0.34) | — | |
| SCHEMBL9166500 | 0.70 | — | — | |
| SCHEMBL9161224 | 0.70 | — | — | |
| SCHEMBL19055557 | 0.70 | — | — | |
| SCHEMBL27712435 | 0.67 | — | — | |
| SCHEMBL7310056 | 0.66 | — | — | |
| SCHEMBL18834743 | 0.66 | — | — | |
| SCHEMBL15095831 | 0.66 | — | — | |
| SCHEMBL18567263 | 0.65 | ADH1B (0.32) | — | |
| SCHEMBL17750792 | 0.63 | ALDH1A1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113336754-B | Fluorescent probe and preparation method thereof | 天津全和诚科技有限责任公司 | 2022-05-17 | — | — | CN | claimed |
| CN-113336754-A | Fluorescent probe and preparation method thereof | 天津全和诚科技有限责任公司 | 2021-09-03 | — | — | CN | claimed |
| CN-113336754-B | Fluorescent probe and preparation method thereof | 天津全和诚科技有限责任公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-113336754-A | Fluorescent probe and preparation method thereof | 天津全和诚科技有限责任公司 | 2021-09-03 | — | — | CN | disclosed |