⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45685 | 1.00 | — | — | |
| Butane SCHEMBL2058367 | 0.82 | — | — | |
| SCHEMBL7592618 | 0.73 | — | — | |
| SCHEMBL2924932 | 0.59 | — | — | |
| SCHEMBL457555 | 0.58 | — | — | |
| Trimethylammonium SCHEMBL284438 | 0.53 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.53 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.53 | — | — | |
| Trimethylammonium SCHEMBL13989274 | 0.53 | — | — | |
| Trimethylammonium SCHEMBL1331060 | 0.53 | — | — |
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-104882361-A | METHOD OF FABRICATING NITRIDE FILM AND METHOD OF CONTROLLING COMPRESSIVE STRESS OF THE SAME | WONIK IPS CO LTD | 2015-09-02 | — | — | CN | disclosed |