⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19257466 | 0.83 | CYP2C9 (0.32) | — | |
| SCHEMBL3293245 | 0.79 | — | — | |
| SCHEMBL12580946 | 0.78 | CYP2C9 (0.30) | — | |
| SCHEMBL51157 | 0.76 | — | — | |
| SCHEMBL7080130 | 0.76 | PRKD3 (0.31) | — | |
| SCHEMBL316627 | 0.76 | — | — | |
| SCHEMBL8859008 | 0.76 | PRKD3 (0.34) | — | |
| SCHEMBL675966 | 0.76 | — | — | |
| SCHEMBL19257460 | 0.74 | CYP2C9 (0.41) | — | |
| SCHEMBL7793314 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150963-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Aventis Pharma Deutschland GmbH (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000046214-A1 | SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-08-10 | — | — | WO | disclosed |