⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL155326 | 0.83 | — | — | |
| SCHEMBL215673 | 0.83 | — | — | |
| SCHEMBL155325 | 0.83 | — | — | |
| SCHEMBL695063 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL695062 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL28755704 | 0.79 | TSHR (0.48) | — | |
| Cyanide SCHEMBL3983478 | 0.78 | — | — | |
| Acetonitrile SCHEMBL27598600 | 0.78 | — | — | |
| SCHEMBL8568126 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL8568120 | 0.76 | TSHR (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105473549-A | Process for the manufacture of hydrogenated nitriles | DSM IP ASSETS BV | 2016-04-06 | — | — | CN | disclosed |