⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL46718 | 1.00 | AHR (1.00) | — | |
| SCHEMBL46706 | 1.00 | AHR (1.00) | — | |
| SCHEMBL30927171 | 0.92 | AHR (1.00) | — | |
| SCHEMBL47076 | 0.92 | AHR (1.00) | — | |
| SCHEMBL10448868 | 0.86 | AHR (0.74) | — | |
| SCHEMBL10448864 | 0.86 | AHR (0.74) | — | |
| SCHEMBL17876625 | 0.86 | AHR (0.79) | — | |
| SCHEMBL16426127 | 0.86 | AHR (0.74) | — | |
| SCHEMBL16426097 | 0.86 | AHR (0.74) | — | |
| SCHEMBL24277782 | 0.81 | AHR (0.70) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| EP-0991944-B1 | METHODS FOR COVALENT IMMOBILISATION OF BIOMOLECULES TO A CARRIER BY MEANS OF A HIS-TAG | INNOGENETICS NV (BE) | 2004-08-25 | — | — | EP | disclosed |
| EP-0991944-A1 | METHODS FOR COVALENT IMMOBILISATION OF BIOMOLECULES TO A CARRIER BY MEANS OF A HIS-TAG | N.V. INNOGENETICS S.A. (BE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000670-A1 | METHODS FOR COVALENT IMMOBILISATION OF BIOMOLECULES TO A CARRIER BY MEANS OF A HIS-TAG | INNOGENETICS N.V. (BE) | 1999-01-07 | — | — | WO | disclosed |