⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1311496 | 0.86 | LMNA (0.38) | — | |
| Hydrochloric Acid SCHEMBL9008650 | 0.82 | KDM4E (0.41) | — | |
| Nornitrogen Mustard SCHEMBL24674 | 0.82 | — | — | |
| SCHEMBL722930 | 0.78 | — | — | |
| Nornitrogen Mustard SCHEMBL2064862 | 0.78 | — | — | |
| Nornitrogen Mustard SCHEMBL246133 | 0.78 | — | — | |
| Nornitrogen Mustard SCHEMBL1332213 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3861975 | 0.74 | — | — | |
| Nornitrogen Mustard SCHEMBL14636056 | 0.74 | — | — | |
| SCHEMBL2571537 | 0.73 | — | — |
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 1 patent. 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 |