⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL636063 | 0.79 | TSHR (0.71) | — | |
| SCHEMBL15072 | 0.79 | — | — | |
| SCHEMBL26479936 | 0.79 | TSHR (0.71) | — | |
| SCHEMBL27799665 | 0.79 | TSHR (1.00) | — | |
| Water SCHEMBL23706522 | 0.77 | — | — | |
| SCHEMBL8716388 | 0.77 | — | — | |
| SCHEMBL9245718 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL22401379 | 0.77 | — | — | |
| SCHEMBL5940648 | 0.77 | TSHR (0.95) | — | |
| SCHEMBL13289234 | 0.77 | — | — |
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-105283521-A | Surface treatment agent for surface configured from inorganic material, tool and device having modified surface, and method for manufacturing tool and device | JSR CORP | 2016-01-27 | — | — | CN | disclosed |