⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6738880 | 0.79 | — | — | |
| SCHEMBL8690770 | 0.76 | MAPT (0.32) | — | |
| SCHEMBL2050394 | 0.76 | — | — | |
| SCHEMBL1229325 | 0.75 | — | — | |
| SCHEMBL20202300 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL937165 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL839596 | 0.72 | — | — | |
| SCHEMBL9398115 | 0.72 | — | — | |
| SCHEMBL13269884 | 0.72 | — | — | |
| SCHEMBL4904636 | 0.72 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-9309853-A | — | — | None | — | — | JP | disclosed |
| CN-119591770-A | Organic polymer carrier, Z-N catalyst, and preparation method and application thereof | 中国石油天然气股份有限公司 | 2025-03-11 | — | — | CN | disclosed |
| JP-H09309853-A | 2-(2-ALKENYL)1,3-DIALKOXYPROPANE AND PRODUCTION OF 2,2-DIALKYL-1,3-DIALKOXYPROPANE USING ALKENYL-1,3-DIALKOXYPROPANE AS A RAW MATERIAL | MITSUI PETROCHEM IND LTD | 1997-12-02 | — | — | JP | disclosed |
| US-5607953-A | ANTIISCHEMIC AGENTS | EISAI CO., LTD. (JP) | 1997-03-04 | — | — | US | disclosed |