⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17570499 | 1.00 | — | — | |
| SCHEMBL24531943 | 0.79 | — | — | |
| SCHEMBL7904815 | 0.77 | — | — | |
| SCHEMBL8920122 | 0.77 | — | — | |
| SCHEMBL5746311 | 0.77 | — | — | |
| SCHEMBL330011 | 0.74 | — | — | |
| SCHEMBL330009 | 0.74 | — | — | |
| SCHEMBL330308 | 0.74 | — | — | |
| SCHEMBL18457432 | 0.72 | — | — | |
| SCHEMBL1534835 | 0.72 | — | — |
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-0301474-B1 | NEW CYSTEINE DERIVATIVES HAVING EXPECTORANT ACTIVITY | MAGIS FARMACEUTICI S.P.A. (IT) | 1993-09-29 | — | — | EP | disclosed |