⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1053325 | 0.78 | — | — | |
| SCHEMBL8999627 | 0.78 | — | — | |
| SCHEMBL3868833 | 0.74 | — | — | |
| SCHEMBL434615 | 0.72 | — | — | |
| SCHEMBL159771 | 0.69 | — | — | |
| SCHEMBL28728889 | 0.67 | — | — | |
| SCHEMBL629382 | 0.67 | — | — | |
| SCHEMBL3476209 | 0.67 | — | — | |
| SCHEMBL7103251 | 0.65 | — | — | |
| Butane SCHEMBL19927524 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595626-A1 | COMBINATION OF SILOXANE AND ACTIVE INGREDIENT FOR TREATING DENTAL DISORDER | Bayer Innovation GmbH (DE) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010478-A1 | COMBINATION OF SILOXANE AND ACTIVE INGREDIENT FOR TREATING DENTAL DISORDER | BAYER INNOVATION GMBH (DE) | 2012-01-26 | — | — | WO | disclosed |