⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30620191 | 0.78 | — | — | |
| SCHEMBL30203471 | 0.73 | — | — | |
| SCHEMBL4566467 | 0.68 | — | — | |
| SCHEMBL1263142 | 0.64 | — | — | |
| SCHEMBL10741061 | 0.64 | — | — | |
| SCHEMBL28741048 | 0.62 | DPP4 (0.32) | — | |
| SCHEMBL29171491 | 0.59 | — | — | |
| SCHEMBL9397824 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL9397835 | 0.57 | — | — | |
| SCHEMBL758192 | 0.56 | — | — |
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-7572798-B2 | Prevent Dna damage; antitumor, anticancer agents; blocking epidermal growth factor receptor | MCGILL UNIVERSITY (CA) | 2009-08-11 | — | — | US | disclosed |
| EP-1366027-B1 | COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES | UNIV MCGILL (CA) | 2006-09-20 | — | — | EP | disclosed |
| US-20040086907-A1 | Combi-molecules having signal transduction inhibitory properties and dna damaging properties | QIU, QIYU | 2004-05-06 | — | — | US | disclosed |
| EP-1366027-A1 | COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES | McGILL UNIVERSITY (CA) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002068396-A1 | COMBI-MOLECULES HAVING SIGNAL TRANSDUCTION INHIBITORY PROPERTIES AND DNA DAMAGING PROPERTIES | MCGILL UNIVERSITY (CA) | 2002-09-06 | — | — | WO | disclosed |