⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135622 | 1.00 | — | — | |
| SCHEMBL1926155 | 0.75 | — | — | |
| SCHEMBL12005799 | 0.69 | — | — | |
| SCHEMBL2121122 | 0.62 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.61 | TSHR (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.61 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL352062 | 0.61 | — | — | |
| SCHEMBL42413 | 0.61 | — | — | |
| Butane SCHEMBL2058367 | 0.58 | — | — | |
| SCHEMBL1363064 | 0.58 | — | — |
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 |