⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28519658 | 0.71 | — | — | |
| Bromide SCHEMBL28501494 | 0.69 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL10380831 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL19273395 | 0.69 | — | — | |
| SCHEMBL8726162 | 0.69 | — | — | |
| SCHEMBL23324830 | 0.68 | — | — | |
| SCHEMBL23987179 | 0.67 | — | — | |
| SCHEMBL15114149 | 0.65 | — | — | |
| SCHEMBL28790575 | 0.62 | — | — | |
| SCHEMBL29620 | 0.62 | — | — |
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-114933698-A | For CO 2 Non-metal catalyst for synthesizing polycarbonate and preparation method thereof | 武汉工程大学 | 2022-08-23 | — | — | CN | disclosed |