⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20320557 | 0.88 | MAPT (0.46) | — | |
| SCHEMBL13248348 | 0.75 | MAPT (0.49) | — | |
| SCHEMBL7181038 | 0.71 | MAPT (0.49) | — | |
| SCHEMBL925818 | 0.71 | MAPT (0.47) | — | |
| SCHEMBL8819115 | 0.68 | USP2 (0.50) | — | |
| SCHEMBL16327971 | 0.68 | P2RX7 (0.36) | — | |
| SCHEMBL9742712 | 0.66 | MAPT (0.72) | — | |
| SCHEMBL3202839 | 0.66 | MAPT (0.71) | — | |
| SCHEMBL8807325 | 0.66 | L3MBTL1 (0.59) | — | |
| SCHEMBL6947543 | 0.64 | MAPT (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | disclosed |
| US-20100063023-A1 | Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors | WYETH (US) | 2010-03-11 | — | — | US | disclosed |
| US-20070032478-A1 | Kinase Inhibitors | ALLERGAN, INC. | 2007-02-08 | — | — | US | disclosed |
| WO-2004024074-A2 | FUSED HETEROBICYCLO SUBSTITUTED PHENYL METABOTROPIC GLUTAMATE-5 MODULATORS | MERCK & CO., INC. (US) | 2004-03-25 | — | — | WO | disclosed |