⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11218921 | 0.79 | — | — | |
| SCHEMBL12032246 | 0.75 | — | — | |
| SCHEMBL12032228 | 0.75 | — | — | |
| SCHEMBL3197355 | 0.73 | — | — | |
| SCHEMBL28286551 | 0.73 | TGFBR1 (0.31) | — | |
| SCHEMBL723642 | 0.71 | — | — | |
| Isobutanol SCHEMBL28281323 | 0.70 | TSHR (0.50) | — | |
| SCHEMBL13451279 | 0.69 | — | — | |
| SCHEMBL227884 | 0.69 | ALOX15 (0.48) | — | |
| SCHEMBL17000464 | 0.69 | ALOX15 (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0841332-A1 | Method for preparing alpha-methylene-beta-methyl-gamma-butyrolactone and 4-hydroxy-butyric aldehyde as well as 2-hydroxa-3-methylene-4-methyltetrahydrofuran being valuable intermediates | Degussa Aktiengesellschaft (DE) | 1998-05-13 | — | — | EP | claimed |
| JP-10147581-A | — | — | None | — | — | JP | disclosed |
| WO-2012116977-A1 | PROCESS FOR THE PREPARATION OF 3-METHYLENE-γ-BUTYROLACTONE | DSM IP ASSETS B.V. (NL) | 2012-09-07 | — | — | WO | disclosed |
| JP-H10147581-A | PRODUCTION OF ALFA-METHYLENE-BETA-METHYL-GAMMA-BUTYROLACTONE AND INTERMEDIATE THEREFOR | DEGUSSA AG | 1998-06-02 | — | — | JP | disclosed |
| EP-0841332-A1 | Method for preparing alpha-methylene-beta-methyl-gamma-butyrolactone and 4-hydroxy-butyric aldehyde as well as 2-hydroxa-3-methylene-4-methyltetrahydrofuran being valuable intermediates | Degussa Aktiengesellschaft (DE) | 1998-05-13 | — | — | EP | disclosed |
| EP-0841332-A1 | Method for preparing alpha-methylene-beta-methyl-gamma-butyrolactone and 4-hydroxy-butyric aldehyde as well as 2-hydroxa-3-methylene-4-methyltetrahydrofuran being valuable intermediates | Degussa Aktiengesellschaft (DE) | 1998-05-13 | — | — | EP | disclosed |