⚠ 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 | |
|---|---|---|---|---|
| Calcium Bromide SCHEMBL27725349 | 0.89 | — | — | |
| Calcium Bromide SCHEMBL28133914 | 0.89 | — | — | |
| Calcium Bromide SCHEMBL27941376 | 0.80 | — | — | |
| Calcium Bromide SCHEMBL27449317 | 0.80 | — | — | |
| Calcium Bromide SCHEMBL28123654 | 0.80 | — | — | |
| Calcium Bromide SCHEMBL28691811 | 0.80 | — | — | |
| Calcium Bromide SCHEMBL28346446 | 0.80 | — | — | |
| Calcium Bromide SCHEMBL30888723 | 0.80 | — | — | |
| Calcium Bromide SCHEMBL20474462 | 0.73 | — | — | |
| Calcium Bromide SCHEMBL28006428 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116212960-B | Aryloxy cyclic ether skeleton metal complex catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2025-02-18 | — | — | CN | disclosed |
| CN-116212960-A | Aryloxy cyclic ether skeleton metal complex catalyst and preparation method and application thereof | 万华化学集团股份有限公司 | 2023-06-06 | — | — | CN | disclosed |