⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28556183 | 0.86 | ALDH1A1 (0.44) | — | |
| SCHEMBL16667714 | 0.85 | TSHR (0.48) | — | |
| SCHEMBL666348 | 0.80 | — | — | |
| SCHEMBL2229961 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL9804570 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL2428692 | 0.78 | — | — | |
| SCHEMBL3381492 | 0.78 | — | — | |
| SCHEMBL2428693 | 0.78 | — | — | |
| SCHEMBL9589826 | 0.76 | — | — | |
| SCHEMBL7712874 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112679543-B | Lipophilic fluorescein probe and preparation method thereof | 天津全和诚科技有限责任公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-112679543-A | Lipophilic fluorescein probe and preparation method thereof | 天津全和诚科技有限责任公司 | 2021-04-20 | — | — | CN | disclosed |
| EP-0466131-B1 | Pyranobenzoxadiazole derivatives | NISSAN CHEMICAL IND LTD (JP) | 1995-09-27 | — | — | EP | disclosed |
| US-5272271-A | Pyranobenzoxadiazole derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1993-12-21 | — | — | US | disclosed |
| EP-0466131-A2 | Pyranobenzoxadiazole derivatives | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1992-01-15 | — | — | EP | disclosed |