⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17025844 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL17025855 | 0.96 | — | — | |
| SCHEMBL18742486 | 0.95 | — | — | |
| SCHEMBL18742437 | 0.90 | SLC6A4 (0.35) | — | |
| SCHEMBL2874718 | 0.80 | CTSD (0.40) | — | |
| SCHEMBL17982813 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2873437 | 0.78 | CTSD (0.39) | — | |
| SCHEMBL89666 | 0.77 | — | — | |
| SCHEMBL16266663 | 0.77 | — | — | |
| SCHEMBL2780627 | 0.76 | SLC6A3 (0.53) | — |
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-117343313-A | Polyether polyol and preparation method and application thereof | 万华化学（宁波）容威聚氨酯有限公司 | 2024-01-05 | — | — | CN | claimed |
| CN-117343313-A | Polyether polyol and preparation method and application thereof | 万华化学（宁波）容威聚氨酯有限公司 | 2024-01-05 | — | — | CN | disclosed |