⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9801430 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL18244314 | 0.76 | — | — | |
| SCHEMBL2058181 | 0.76 | — | — | |
| SCHEMBL22446868 | 0.76 | — | — | |
| SCHEMBL10560484 | 0.76 | — | — | |
| SCHEMBL9286272 | 0.74 | PARP1 (0.33) | — | |
| SCHEMBL9801484 | 0.73 | ALOX15 (0.33) | — | |
| SCHEMBL9281240 | 0.73 | — | — | |
| SCHEMBL18963613 | 0.73 | — | — | |
| SCHEMBL1555235 | 0.73 | HSD11B1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012167060-A2 | COMPOSITIONS AND PROCESSES FOR DEPOSITING CARBON-DOPED SILICON-CONTAINING FILMS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-12-06 | — | — | WO | disclosed |