⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270952 | 0.80 | — | — | |
| SCHEMBL270439 | 0.74 | — | — | |
| SCHEMBL269600 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL18175371 | 0.71 | — | — | |
| SCHEMBL21563870 | 0.71 | — | — | |
| SCHEMBL3714888 | 0.71 | — | — | |
| SCHEMBL1432593 | 0.71 | OPRM1 (0.39) | — | |
| SCHEMBL21526771 | 0.69 | — | — | |
| Bromide SCHEMBL8994509 | 0.69 | — | — | |
| SCHEMBL6349151 | 0.69 | — | — |
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-8501754-B2 | Quinazolinamide derivatives | MERCK PATENT GMBH (DE) | 2013-08-06 | — | — | US | disclosed |
| US-20100234324-A1 | Quinazolinamide derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2010-09-16 | — | — | US | disclosed |