⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48849 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL253228 | 0.90 | — | — | |
| Water SCHEMBL3720857 | 0.90 | — | — | |
| Propane SCHEMBL29234722 | 0.90 | — | — | |
| Bromide SCHEMBL2450068 | 0.90 | — | — | |
| Methane SCHEMBL23217135 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL28267488 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28210669 | 0.90 | — | — | |
| Methane SCHEMBL6676869 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28962635 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0608873-A1 | Nitrosamine inhibition | ALBRIGHT & WILSON UK LIMITED (GB) | 1994-08-03 | — | — | EP | disclosed |