⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL2245238 | 0.91 | — | — | |
| Propane SCHEMBL9837149 | 0.91 | — | — | |
| Propane SCHEMBL2564094 | 0.91 | — | — | |
| Propane SCHEMBL27887844 | 0.83 | — | — | |
| Propane SCHEMBL4349398 | 0.83 | — | — | |
| Propane SCHEMBL1492199 | 0.83 | — | — | |
| Propane SCHEMBL28060666 | 0.83 | — | — | |
| Propane SCHEMBL29113063 | 0.83 | — | — | |
| Propane SCHEMBL28395483 | 0.83 | — | — | |
| Propane SCHEMBL10956924 | 0.82 | TSHR (0.43) | — |
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-20100252648-A1 | Climate Processor | ROBINSON NICHOLAS PAUL | 2010-10-07 | — | — | US | disclosed |