⚠ 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 | |
|---|---|---|---|---|
| Carbon Dioxide SCHEMBL28213982 | 0.80 | — | — | |
| SCHEMBL11560033 | 0.79 | — | — | |
| Water SCHEMBL9336807 | 0.79 | — | — | |
| Carbon Dioxide SCHEMBL28124685 | 0.79 | — | — | |
| Carbon Dioxide SCHEMBL10973077 | 0.79 | — | — | |
| Carbon Dioxide SCHEMBL28860948 | 0.79 | — | — | |
| SCHEMBL9547 | 0.79 | — | — | |
| Carbon Dioxide SCHEMBL56966 | 0.79 | — | — | |
| Carbon Dioxide SCHEMBL27348487 | 0.79 | — | — | |
| SCHEMBL27512693 | 0.79 | CA1 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070077311-A1 | Fumigant/sterilant | BOC LIMITED (AU) | 2007-04-05 | — | — | US | disclosed |
| WO-2005037332-A1 | FUMIGANT/STERILANT | BOC LIMITED (AU) | 2005-04-28 | — | — | WO | disclosed |