⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11326989 | 0.72 | — | — | |
| SCHEMBL8984539 | 0.53 | — | — | |
| SCHEMBL16540089 | 0.53 | — | — | |
| SCHEMBL28468091 | 0.52 | — | — | |
| SCHEMBL4781154 | 0.50 | — | — | |
| SCHEMBL15543279 | 0.49 | — | — | |
| SCHEMBL11809662 | 0.48 | — | — | |
| SCHEMBL31447625 | 0.47 | — | — | |
| SCHEMBL11700699 | 0.46 | GAA (0.33) | — | |
| SCHEMBL5074259 | 0.46 | — | — |
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-1871748-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES | F. Hoffmann-Roche AG (CH) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006108773-A1 | (3,4-DIHYDRO-QUINAZOLIN-2-YL)-INDAN-1-YL-AMINES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | WO | disclosed |