⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28380479 | 0.83 | — | — | |
| SCHEMBL3220985 | 0.75 | — | — | |
| Water SCHEMBL17727821 | 0.71 | — | — | |
| SCHEMBL10458961 | 0.71 | — | — | |
| SCHEMBL27828503 | 0.71 | — | — | |
| SCHEMBL304991 | 0.71 | — | — | |
| SCHEMBL1399887 | 0.71 | — | — | |
| SCHEMBL7846909 | 0.69 | — | — | |
| SCHEMBL28247208 | 0.69 | — | — | |
| SCHEMBL24720912 | 0.67 | ALDH1A1 (0.50) | — |
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-105111637-A | High/low-temperature-resistant fluororubber material for nuclear power station cables and preparation method thereof | ANHUI CABLE CO LTD | 2015-12-02 | — | — | CN | disclosed |