⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27456499 | 1.00 | — | — | |
| Fluoride SCHEMBL28182965 | 0.97 | — | — | |
| SCHEMBL2796248 | 0.97 | — | — | |
| SCHEMBL676896 | 0.97 | — | — | |
| SCHEMBL429206 | 0.97 | — | — | |
| Fluoride SCHEMBL28322246 | 0.97 | — | — | |
| SCHEMBL27871994 | 0.97 | — | — | |
| SCHEMBL477804 | 0.97 | — | — | |
| SCHEMBL23243641 | 0.93 | — | — | |
| Iodide SCHEMBL9441777 | 0.93 | — | — |
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-113717356-A | Semi-aromatic polyester and preparation method and application thereof | 珠海万通化工有限公司 | 2021-11-30 | — | — | CN | disclosed |