⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2936392 | 0.87 | KMT2A (0.46) | — | |
| SCHEMBL8452074 | 0.85 | KMT2A (0.40) | — | |
| SCHEMBL2936179 | 0.81 | — | — | |
| SCHEMBL23989435 | 0.80 | — | — | |
| SCHEMBL4381704 | 0.80 | — | — | |
| SCHEMBL23989428 | 0.77 | KCNH2 (0.34) | — | |
| SCHEMBL4383364 | 0.77 | MAPT (0.36) | — | |
| SCHEMBL29067880 | 0.76 | — | — | |
| SCHEMBL11845645 | 0.76 | — | — | |
| SCHEMBL21212491 | 0.76 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | disclosed |
| WO-2019025467-A1 | SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME | NodThera Limited (GB) | 2019-02-07 | — | — | WO | disclosed |
| US-9447245-B2 | Cross-linking and stabilization of organic metal complexes in networks | CYNORA GMBH (DE) | 2016-09-20 | — | — | US | disclosed |
| US-9447246-B2 | Method of covalently bonding an organic metal complex to a polymer | CYNORA GMBH (DE) | 2016-09-20 | — | — | US | disclosed |
| US-20140142258-A1 | CROSS-LINKING AND STABILIZATION OF ORGANIC METAL COMPLEXES IN NETWORKS | CYNORA GMBH (DE) | 2014-05-22 | — | — | US | disclosed |
| US-20140142259-A1 | METHOD OF COVALENTLY BONDING AN ORGANIC METAL COMPLEX TO A POLYMER | CYNORA GMBH (DE) | 2014-05-22 | — | — | US | disclosed |
| US-20100267596-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASE SE (DE) | 2010-10-21 | — | — | US | disclosed |
| EP-2229365-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASF SE (DE) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009077452-A1 | METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS | BASF SE (DE) | 2009-06-25 | — | — | WO | disclosed |