⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL315300 | 0.97 | — | — | |
| Imidazole SCHEMBL17907276 | 0.97 | — | — | |
| Imidazole SCHEMBL30706501 | 0.97 | — | — | |
| Imidazole SCHEMBL28204566 | 0.93 | ALDH1A1 (0.87) | — | |
| Imidazole SCHEMBL30400426 | 0.93 | — | — | |
| Imidazole SCHEMBL27789695 | 0.93 | — | — | |
| Imidazole SCHEMBL5333604 | 0.93 | ALDH1A1 (0.87) | — | |
| Imidazole SCHEMBL28818418 | 0.93 | — | — | |
| Imidazole SCHEMBL2684565 | 0.93 | ALDH1A1 (1.00) | — | |
| Imidazole SCHEMBL2635292 | 0.93 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0933364-B1 | Imidazolate sulfur difluorides | AIR PROD & CHEM (US) | 2002-05-02 | — | — | EP | disclosed |
| US-5939546-A | USEFUL DEOXOFLUORINATION REAGENTS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0933364-A1 | Imidazolate sulfur difluorides | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-08-04 | — | — | EP | disclosed |