⚠ 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 | |
|---|---|---|---|---|
| Fluoromethane SCHEMBL29101169 | 0.88 | — | — | |
| 1,1-Dichloroethene SCHEMBL27592228 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL251284 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL28339318 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL18241033 | 0.87 | ALDH1A1 (0.31) | — | |
| Tetrafluoroethylene SCHEMBL28059854 | 0.83 | — | — | |
| Fluoride SCHEMBL20913162 | 0.83 | — | — | |
| Ethylene SCHEMBL109813 | 0.82 | — | — | |
| Ethylene SCHEMBL28760441 | 0.82 | — | — | |
| Fluoromethane SCHEMBL27542444 | 0.82 | — | — |
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-108140441-A | The transparent conductor for being used to form the composition of transparent conductor and being made from it | 索尔维公司 | 2018-06-08 | — | — | CN | disclosed |