⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10892912 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL3071540 | 0.77 | TAAR1 (0.32) | — | |
| SCHEMBL2918538 | 0.74 | — | — | |
| SCHEMBL1139983 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL30474266 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL488065 | 0.73 | MPO (0.37) | — | |
| SCHEMBL20659211 | 0.71 | NMT1 (0.33) | — | |
| SCHEMBL1042005 | 0.69 | KDM1A (0.32) | — | |
| SCHEMBL25370870 | 0.69 | HTR2A (0.32) | — | |
| SCHEMBL6599481 | 0.69 | TRPA1 (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231619-B1 | INHIBITORS OF STEAROYL-COA DESATURASE | HOFFMANN LA ROCHE (CH) | 2014-11-26 | — | — | EP | disclosed |
| CN-101896473-B | Inhibitors of stearoyl-coa desaturase | HOFFMANN LA ROCHE | 2012-07-25 | — | — | CN | disclosed |
| CN-101896473-A | Inhibitors of stearoyl-coa desaturase | HOFFMANN LA ROCHE | 2010-11-24 | — | — | CN | disclosed |
| EP-2231619-A1 | INHIBITORS OF STEAROYL-COA DESATURASE | F. Hoffmann-La Roche AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| US-7652013-B2 | Inhibitors of stearoyl-CoA desaturase | HOFFMAN-LA ROCHE INC. (US) | 2010-01-26 | — | — | US | disclosed |
| WO-2009074487-A1 | INHIBITORS OF STEAROYL-COA DESATURASE | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-18 | — | — | WO | disclosed |
| US-20090149466-A1 | INHIBITORS OF STEAROYL-COA DESATURASE | GILLESPIE PAUL | 2009-06-11 | — | — | US | disclosed |