⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8628226 | 0.78 | CYP3A4 (0.44) | — | |
| SCHEMBL8903374 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL3443090 | 0.76 | CA12 (0.47) | — | |
| SCHEMBL6051981 | 0.75 | ESR1 (0.34) | — | |
| SCHEMBL9172800 | 0.73 | ESR1 (0.33) | — | |
| SCHEMBL3231904 | 0.72 | PDE3B (0.37) | — | |
| SCHEMBL1740286 | 0.71 | — | — | |
| SCHEMBL147112 | 0.69 | PDGFRB (0.35) | — | |
| SCHEMBL8608872 | 0.68 | NSD2 (0.48) | — | |
| SCHEMBL8624057 | 0.68 | SELL (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655527-A1 | PROCESS FOR CURING SURFACE-COATING COMPOSITIONS | ALLNEX AUSTRIA GmbH (AT) | 2013-10-30 | — | — | EP | claimed |
| WO-2012085016-A1 | PROCESS FOR CURING SURFACE-COATING COMPOSITIONS | CYTEC AUSTRIA GMBH (AT) | 2012-06-28 | — | — | WO | claimed |
| EP-1606447-A1 | OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE | Lanxess B.V. (NL) | 2005-12-21 | — | — | EP | claimed |
| WO-2004083516-A1 | OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE | LANXESS B.V. (NL) | 2004-09-30 | — | — | WO | claimed |
| EP-2655527-A1 | PROCESS FOR CURING SURFACE-COATING COMPOSITIONS | ALLNEX AUSTRIA GmbH (AT) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085016-A1 | PROCESS FOR CURING SURFACE-COATING COMPOSITIONS | CYTEC AUSTRIA GMBH (AT) | 2012-06-28 | — | — | WO | disclosed |
| EP-1606447-A1 | OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE | Lanxess B.V. (NL) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004083516-A1 | OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE | LANXESS B.V. (NL) | 2004-09-30 | — | — | WO | disclosed |