⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3234381 | 0.92 | — | — | |
| SCHEMBL27910517 | 0.79 | — | — | |
| SCHEMBL26968049 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL8613971 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL2508249 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL24071200 | 0.71 | — | — | |
| SCHEMBL157380 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL15049 | 0.71 | — | — | |
| SCHEMBL193952 | 0.69 | — | — | |
| SCHEMBL6295217 | 0.69 | ALDH1A1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116836199-A | Phosphate compound and preparation method and application thereof | 广州天赐高新材料股份有限公司 | 2023-10-03 | — | — | CN | disclosed |
| US-6852664-B2 | Double metal cyanide catalysts for the preparation of polyether polyols | BAYER AKTIENGESELLSCHAFT (DE) | 2005-02-08 | — | — | US | disclosed |
| US-20040092389-A1 | Double metal cyanide catalysts for the preparation of polyether polyols | BAYER AKTIENGESELLSCHAFT (DE) | 2004-05-13 | — | — | US | disclosed |
| EP-1386662-A1 | Double metal cyanide catalysts for preparing polyether polyols | Bayer Aktiengesellschaft (DE) | 2004-02-04 | — | — | EP | disclosed |