⚠ 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL3797091 | 0.71 | CA4 (0.50) | — | |
| Water SCHEMBL19589 | 0.71 | — | — | |
| Bromide SCHEMBL3188562 | 0.71 | — | — | |
| SCHEMBL3421980 | 0.71 | — | — | |
| SCHEMBL50934 | 0.71 | — | — | |
| Iodide SCHEMBL1642936 | 0.71 | — | — | |
| SCHEMBL234001 | 0.71 | — | — | |
| SCHEMBL677312 | 0.71 | — | — | |
| SCHEMBL766446 | 0.71 | — | — | |
| SCHEMBL23462252 | 0.00 | — | — |
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-111484870-A | Heat exchange method for fractionating tower | 中石化广州工程有限公司 | 2020-08-04 | — | — | CN | disclosed |