⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2534730 | 0.95 | — | — | |
| SCHEMBL16235675 | 0.90 | — | — | |
| SCHEMBL778711 | 0.79 | ALOX5AP (0.31) | — | |
| SCHEMBL5663468 | 0.79 | — | — | |
| SCHEMBL777574 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL5662340 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL2951024 | 0.75 | CA1 (0.32) | — | |
| SCHEMBL8134289 | 0.75 | MMP1 (0.33) | — | |
| SCHEMBL15045178 | 0.75 | LMNA (0.36) | — | |
| SCHEMBL8142390 | 0.73 | CA12 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2137187-A1 | PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE | Inovacia AB (SE) | 2009-12-30 | — | — | EP | disclosed |
| US-20080255153-A1 | New compounds | BIOVITRUM AB (PUBL) (SE) | 2008-10-16 | — | — | US | disclosed |
| WO-2008116898-A1 | PYRAZOLO [1,5-A]PYRIMIDINES AS INHIBITORS OF STEAROYL-COA DESATURASE | BIOVITRUM AB (PUBL) (SE) | 2008-10-02 | — | — | WO | disclosed |