⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10535550 | 1.00 | — | — | |
| SCHEMBL10531704 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL10531712 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL10531718 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL295228 | 0.73 | — | — | |
| SCHEMBL27514356 | 0.73 | — | — | |
| SCHEMBL10704298 | 0.71 | — | — | |
| SCHEMBL12192826 | 0.69 | — | — | |
| SCHEMBL1680212 | 0.69 | — | — | |
| SCHEMBL11410415 | 0.69 | — | — |
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-0235532-B1 | PROCESS FOR THE PREPARATION OF 4-MONOACETALS OF 2-METHYL-2-BUTENE-1,4-DIAL | BASF Aktiengesellschaft (DE) | 1989-06-14 | — | — | EP | disclosed |
| US-4804786-A | HYDROLYSIS OR ALCOHOLYSIS OF BISACETALS IN PRESENCE OF ACID CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1989-02-14 | — | — | US | disclosed |
| EP-0235532-A1 | Process for the preparation of 4-monoacetals of 2-methyl-2-butene-1,4-dial | BASF Aktiengesellschaft (DE) | 1987-09-09 | — | — | EP | disclosed |