⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20648013 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL20049728 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL15721587 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL21078022 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL25951118 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL18602569 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL21086937 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL12091637 | 0.92 | — | — | |
| SCHEMBL24103200 | 0.86 | KDM4E (0.52) | — | |
| SCHEMBL25449249 | 0.85 | EPHX2 (0.54) | — |
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-114080384-B | Herbicidal cyclohexanedione derivatives | 先正达农作物保护股份公司 | 2024-07-12 | — | — | CN | disclosed |
| EP-2438037-A1 | GLYCINE B ANTAGONISTS | Merz Pharma GmbH & Co. KGaA (DE) | 2012-04-11 | — | — | EP | disclosed |
| EP-2438070-A1 | GLYCINE B ANTAGONISTS | Merz Pharma GmbH & Co. KGaA (DE) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010139483-A1 | GLYCINE B ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010139481-A1 | GLYCINE B ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-12-09 | — | — | WO | disclosed |