⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14401325 | 0.85 | — | — | |
| SCHEMBL12951568 | 0.78 | — | — | |
| SCHEMBL2385232 | 0.78 | — | — | |
| SCHEMBL19226264 | 0.77 | — | — | |
| SCHEMBL10522453 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL4268291 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL14620922 | 0.75 | — | — | |
| SCHEMBL31212505 | 0.75 | — | — | |
| SCHEMBL28499159 | 0.75 | — | — | |
| SCHEMBL19049977 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111217810-A | Azacyclodiketone compound and preparation method thereof | 维清生物科技(上海)有限公司 | 2020-06-02 | — | — | CN | disclosed |
| US-9447017-B2 | Process for the production of 4-alkanoyloxy-2-methylbutanoic acid | DSM IP ASSETS B.V. (NL) | 2016-09-20 | — | — | US | disclosed |
| US-20150099894-A1 | PROCESS FOR THE PRODUCTION OF 4-ALKANOYLOXY-2-METHYLBUTANOIC ACID | DSM IP ASSETS B.V. (NL) | 2015-04-09 | — | — | US | disclosed |
| EP-1356033-B1 | METHYL-D-ERYTHRITOL PHOSPHATE PATHWAY GENES | MONSANTO TECHNOLOGY LLC (US) | 2009-10-28 | — | — | EP | disclosed |
| US-4133836-A | UNSATURATED ALDEHYDE AND ALCOHOL, NITRIC ACID, RECTIFICATION | BASF AKTIENGESELLSCHAFT (DE) | 1979-01-09 | — | — | US | disclosed |