⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20464014 | 0.81 | THRB (0.35) | — | |
| SCHEMBL1454515 | 0.71 | — | — | |
| SCHEMBL11300053 | 0.71 | — | — | |
| SCHEMBL18369500 | 0.69 | — | — | |
| SCHEMBL2698450 | 0.69 | — | — | |
| SCHEMBL882263 | 0.69 | — | — | |
| SCHEMBL22151858 | 0.69 | — | — | |
| SCHEMBL15948908 | 0.67 | — | — | |
| SCHEMBL11484932 | 0.67 | — | — | |
| SCHEMBL18863926 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0337260-B1 | PROCESS FOR THE PRODUCTION OF ENOL ETHERS AND THEIR USE IN THE PREPARATION OF ALDEHYDES | BASF Aktiengesellschaft (DE) | 1992-12-02 | — | — | EP | disclosed |
| US-4960954-A | ELIMINATING ALCOHOL FROM ACETAL OR KETAL USING PHOSPHATE OR ZEOLITE CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1990-10-02 | — | — | US | disclosed |
| EP-0337260-A1 | Process for the production of enol ethers and their use in the preparation of aldehydes | BASF Aktiengesellschaft (DE) | 1989-10-18 | — | — | EP | disclosed |