⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14429092 | 1.00 | — | — | |
| SCHEMBL29405666 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL29795040 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL19157926 | 0.79 | — | — | |
| SCHEMBL13721483 | 0.79 | — | — | |
| SCHEMBL17348064 | 0.77 | — | — | |
| SCHEMBL9119052 | 0.77 | PTGS1 (0.34) | — | |
| SCHEMBL14300792 | 0.77 | — | — | |
| SCHEMBL16001975 | 0.77 | — | — | |
| SCHEMBL20058193 | 0.77 | — | — |
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-2099506-A2 | COMPOSITIONS AND DEVICES COMRISING SILICONE AND SPECIFIC POLYPHOSPHAZENES | Celonova Biosciences Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008045953-A2 | COMPOSITIONS AND DEVICES COMRISING SILICONE AND SPECIFIC POLYPHOSPHAZENES | CELONOVA BIOSCIENCES, INC. (US) | 2008-04-17 | — | — | WO | disclosed |
| CN-1789395-A | Tibetan herb dracocephalum heterophyllum essential oil with bacteria inhibiting and/or killing functions | UNIV LANZHOU (CN) | 2006-06-21 | — | — | CN | disclosed |