⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1262366 | 1.00 | — | — | |
| SCHEMBL5442150 | 0.78 | — | — | |
| SCHEMBL16382114 | 0.69 | — | — | |
| SCHEMBL15958732 | 0.65 | — | — | |
| SCHEMBL705993 | 0.62 | — | — | |
| SCHEMBL16716405 | 0.61 | — | — | |
| SCHEMBL12719848 | 0.60 | — | — | |
| SCHEMBL1200350 | 0.60 | — | — | |
| SCHEMBL14354711 | 0.60 | — | — | |
| SCHEMBL9076425 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7879861-B2 | 4-N-(3-bromophenyl)-6-N-(2-chloroethyl)quinazoline-4,6-diamine, capable of both inhibiting epidermal growth factor receptors and damaging DNA; antitumor and antiproliferative agents | MCGILL UNIVERSITY (CA) | 2011-02-01 | — | — | US | disclosed |
| US-20060003970-A1 | Novel combi-molecules having EGFR and DNA targeting properties | MCGILL UNIVERSITY (CA) | 2006-01-05 | — | — | US | disclosed |