⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11709420 | 0.76 | — | — | |
| SCHEMBL11607004 | 0.75 | — | — | |
| SCHEMBL21239987 | 0.66 | — | — | |
| SCHEMBL29126639 | 0.63 | — | — | |
| SCHEMBL3957536 | 0.63 | — | — | |
| SCHEMBL29126606 | 0.63 | — | — | |
| SCHEMBL7860948 | 0.61 | — | — | |
| SCHEMBL28803218 | 0.61 | — | — | |
| SCHEMBL8032075 | 0.60 | — | — | |
| SCHEMBL9859355 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0253396-A2 | Process for preparing 5,6-substituted-2,4-quinazolinediamines and intermediates | WARNER-LAMBERT COMPANY (US) | 1988-01-20 | — | — | EP | disclosed |