⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3407720 | 0.89 | — | — | |
| SCHEMBL28061146 | 0.89 | — | — | |
| Methane SCHEMBL28239670 | 0.89 | — | — | |
| SCHEMBL28411446 | 0.87 | — | — | |
| SCHEMBL526752 | 0.87 | — | — | |
| SCHEMBL23398337 | 0.87 | — | — | |
| SCHEMBL30502992 | 0.87 | — | — | |
| SCHEMBL8333543 | 0.87 | — | — | |
| SCHEMBL31381459 | 0.87 | — | — | |
| SCHEMBL181038 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080230964-A1 | Tungsten Shot | BASF SE | 2008-09-25 | — | — | US | disclosed |