⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3787125 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL3710252 | 0.94 | — | — | |
| Butanone SCHEMBL8329262 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL296963 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL22624 | 0.73 | — | — | |
| SCHEMBL1984184 | 0.73 | — | — | |
| SCHEMBL15867579 | 0.73 | — | — | |
| SCHEMBL14691575 | 0.73 | — | — | |
| SCHEMBL11586711 | 0.72 | — | — | |
| SCHEMBL215062 | 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-104919011-A | Transparent conductive film coating composition, transparent conductive film, and method for manufacturing transparent conductive film | DONGJIN SEMICHEM CO LTD | 2015-09-16 | — | — | CN | disclosed |