⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823812 | 0.90 | CA1 (0.31) | — | |
| SCHEMBL823741 | 0.74 | HDAC4 (0.33) | — | |
| SCHEMBL826485 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL823809 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL8720601 | 0.66 | CA1 (0.33) | — | |
| SCHEMBL823808 | 0.62 | TSHR (0.33) | — | |
| SCHEMBL11791936 | 0.61 | ALDH1A1 (0.44) | — | |
| SCHEMBL21070696 | 0.61 | TSHR (0.67) | — | |
| SCHEMBL10026225 | 0.60 | MEN1 (0.58) | — | |
| SCHEMBL8411185 | 0.60 | CA1 (0.61) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8142720-B2 | Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules | IMEC (BE) | 2012-03-27 | — | — | US | disclosed |
| US-20100284860-A1 | MOLECULES SUITABLE FOR BINDING TO A METAL LAYER FOR COVALENTLY IMMOBILIZING BIOMOLECULES | IMEC (BE) | 2010-11-11 | — | — | US | disclosed |
| US-7770437-B2 | Thiol or disulfide molecules having poly(ethylene oxide) groups for use in a self assembled monolayer bound to a metal layer for covalently immobilizing biomolecules in a biosensor | IMEC (BE) | 2010-08-10 | — | — | US | disclosed |
| EP-1798250-B1 | Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules | IMEC INTER UNI MICRO ELECTR (BE) | 2008-09-03 | — | — | EP | disclosed |
| US-20070272003-A1 | 2-(2-{2-[2-(2-{2-[2-(11-mercaptoyldisulfanyl-undecyloxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy} acetic acid pentafluorophenyl ester; poly(ethylene oxide) groups resist nonspecific adsorption and enhance the specific affinity interactions | IMEC (BE) | 2007-11-29 | — | — | US | disclosed |
| EP-1798250-A2 | Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules | INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) | 2007-06-20 | — | — | EP | disclosed |