⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL461950 | 0.69 | — | — | |
| SCHEMBL330433 | 0.69 | — | — | |
| SCHEMBL11878575 | 0.67 | — | — | |
| SCHEMBL434789 | 0.65 | — | — | |
| SCHEMBL27484341 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL7624985 | 0.65 | — | — | |
| SCHEMBL11873304 | 0.65 | — | — | |
| SCHEMBL11500219 | 0.62 | — | — | |
| SCHEMBL7165676 | 0.62 | — | — | |
| SCHEMBL20594202 | 0.62 | — | — |
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-106459357-B | Aromatic nitrile-containing compositions for making transparent polythiourethane articles | 科思创德国股份有限公司 | 2019-07-30 | — | — | CN | disclosed |