⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8633945 | 0.88 | KMT2A (0.42) | — | |
| SCHEMBL18190 | 0.82 | NPC1 (0.42) | — | |
| SCHEMBL947710 | 0.82 | — | — | |
| SCHEMBL4765851 | 0.80 | — | — | |
| SCHEMBL30371 | 0.78 | — | — | |
| SCHEMBL20742881 | 0.78 | — | — | |
| SCHEMBL6420210 | 0.78 | — | — | |
| SCHEMBL2127263 | 0.78 | — | — | |
| SCHEMBL1430733 | 0.78 | — | — | |
| SCHEMBL6208018 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1595875-B1 | Process for the preparation of isothiocyanato-2,2-difluoro-1,3-benzodioxoles | SALTIGO GMBH (DE) | 2011-06-22 | — | — | EP | claimed |
| US-7259267-B2 | Difluorobenzo-1,3-dioxoles | LANXESS DEUTSCHLAND GMBH (DE) | 2007-08-21 | — | — | US | claimed |
| EP-1595875-B1 | Process for the preparation of isothiocyanato-2,2-difluoro-1,3-benzodioxoles | SALTIGO GMBH (DE) | 2011-06-22 | — | — | EP | disclosed |
| US-7259267-B2 | Difluorobenzo-1,3-dioxoles | LANXESS DEUTSCHLAND GMBH (DE) | 2007-08-21 | — | — | US | disclosed |
| US-20050272811-A1 | Difluorobenzo-1,3-dioxoles | LANXESS DEUTSCHLAND GMBH (DE) | 2005-12-08 | — | — | US | disclosed |
| EP-1595875-A2 | Isothiocyanato-2,2-difluoro-1,3-benzodioxoles | Lanxess Deutschland GmbH (DE) | 2005-11-16 | — | — | EP | disclosed |