⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9540246 | 0.65 | — | — | |
| SCHEMBL9535919 | 0.64 | — | — | |
| SCHEMBL9535922 | 0.64 | — | — | |
| Sulfuric Acid SCHEMBL1289861 | 0.64 | CA1 (0.36) | — | |
| SCHEMBL3371130 | 0.60 | CA1 (0.32) | — | |
| SCHEMBL21646121 | 0.59 | PKM (0.36) | — | |
| SCHEMBL9348376 | 0.59 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL967610 | 0.57 | — | — | |
| SCHEMBL967611 | 0.57 | — | — | |
| SCHEMBL2778468 | 0.57 | SMN1; SMN2 (0.35) | — |
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-0260118-B1 | SELECTIVE AMIDINATION OF DIAMINES | SYNTEX (U.S.A.) INC. (US) | 1991-12-04 | — | — | EP | disclosed |