⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL260629 | 0.77 | — | — | |
| SCHEMBL853365 | 0.76 | — | — | |
| Water SCHEMBL28118741 | 0.74 | — | — | |
| Iodide SCHEMBL27951207 | 0.74 | — | — | |
| Ethane SCHEMBL4897629 | 0.74 | — | — | |
| Bromide SCHEMBL27510907 | 0.74 | — | — | |
| Trimethylammonium SCHEMBL28021240 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL8297361 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL3256853 | 0.74 | — | — | |
| SCHEMBL786920 | 0.71 | — | — |
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-102484057-B | Semiconductor surface treatment agent composition and method for treating semiconductor surface using the same | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2015-10-14 | — | — | CN | disclosed |