⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20235926 | 0.97 | — | — | |
| SCHEMBL27646870 | 0.97 | — | — | |
| SCHEMBL2692028 | 0.97 | — | — | |
| SCHEMBL9382559 | 0.87 | — | — | |
| SCHEMBL3738742 | 0.85 | — | — | |
| SCHEMBL4655401 | 0.73 | — | — | |
| SCHEMBL11668518 | 0.69 | — | — | |
| SCHEMBL462237 | 0.63 | — | — | |
| SCHEMBL1483418 | 0.60 | — | — | |
| SCHEMBL14190502 | 0.56 | IDUA (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023198596-A1 | ORGANOMETALLIC COMPOUNDS, PRODUCTION AND USE THEREOF | RUHR-UNIVERSITäT BOCHUM (DE) | 2023-10-19 | — | — | WO | disclosed |
| EP-2927229-B1 | BENZENE-FUSED 5-MEMBERED NITROGEN-CONTAINING HETEROAROMATIC COMPOUNDS USEFUL FOR PROPHYLAXIS OR TREATMENT OF NEURODEGENERATIVE DISEASES OR EPILEPSY | TAKEDA PHARMACEUTICALS CO (JP) | 2018-09-05 | — | — | EP | disclosed |
| WO-2011156921-A2 | CATALYST LIGANDS, CATALYTIC LIGAND COMPLEXES AND POLYMERIZATION PROCESSES USING SAME | LAVOIE GINO GEORGES (CA) | 2011-12-22 | — | — | WO | disclosed |