⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29725803 | 0.78 | — | — | |
| SCHEMBL4943693 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2357952 | 0.73 | — | — | |
| Bromide SCHEMBL2357681 | 0.73 | — | — | |
| Water SCHEMBL546028 | 0.73 | — | — | |
| SCHEMBL8586649 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL545334 | 0.73 | — | — | |
| Bromide SCHEMBL5190792 | 0.73 | — | — | |
| Iodide SCHEMBL2356598 | 0.73 | — | — | |
| Allylamine SCHEMBL23830432 | 0.73 | — | — |
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-5227309-A | C-terminal peptide sequencing method | CITY OF HOPE (US) | 1993-07-13 | — | — | US | claimed |