⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16294767 | 0.89 | GRM5 (0.30) | — | |
| SCHEMBL588633 | 0.83 | — | — | |
| SCHEMBL18606203 | 0.71 | CA2 (0.31) | — | |
| SCHEMBL28334066 | 0.69 | — | — | |
| SCHEMBL26918919 | 0.69 | NOS3 (0.44) | — | |
| SCHEMBL22986152 | 0.66 | ENPP2 (0.34) | — | |
| SCHEMBL29955379 | 0.66 | DCTPP1 (0.30) | — | |
| SCHEMBL845963 | 0.66 | — | — | |
| SCHEMBL31013217 | 0.66 | — | — | |
| SCHEMBL313923 | 0.65 | HTR7 (0.35) | — |
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-2321268-A2 | BI-ARYL AMINOTETRALINES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010018113-A2 | BI-ARYL AMINOTETRALINES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-18 | — | — | WO | disclosed |