⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7786611 | 1.00 | — | — | |
| SCHEMBL1267433 | 0.83 | — | — | |
| SCHEMBL1267432 | 0.83 | — | — | |
| SCHEMBL7786623 | 0.81 | — | — | |
| SCHEMBL221493 | 0.78 | — | — | |
| SCHEMBL221492 | 0.78 | — | — | |
| SCHEMBL188122 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL828461 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL450370 | 0.75 | — | — | |
| SCHEMBL11845669 | 0.74 | — | — |
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-0847383-B1 | MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES | DU PONT (US) | 2001-11-07 | — | — | EP | disclosed |