⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9979376 | 0.73 | — | — | |
| SCHEMBL433375 | 0.72 | — | — | |
| SCHEMBL29640853 | 0.71 | — | — | |
| SCHEMBL5499984 | 0.71 | — | — | |
| SCHEMBL106174 | 0.69 | LMNA (0.30) | — | |
| SCHEMBL10694637 | 0.69 | — | — | |
| SCHEMBL516194 | 0.67 | — | — | |
| SCHEMBL5493323 | 0.67 | — | — | |
| SCHEMBL1026655 | 0.67 | — | — | |
| SCHEMBL6046320 | 0.67 | — | — |
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 |