⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4592223 | 0.95 | OPRM1 (0.30) | — | |
| SCHEMBL4592348 | 0.81 | CHRM2 (0.33) | — | |
| SCHEMBL4591962 | 0.77 | HPGD (0.33) | — | |
| SCHEMBL4591960 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL4592224 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL4591978 | 0.71 | L3MBTL1 (0.34) | — | |
| SCHEMBL2644912 | 0.66 | L3MBTL1 (0.38) | — | |
| SCHEMBL4592055 | 0.64 | CHRM2 (0.36) | — | |
| SCHEMBL360407 | 0.63 | TSHR (0.39) | — | |
| SCHEMBL4189632 | 0.62 | — | — |
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-1943231-A1 | (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-16 | — | — | EP | disclosed |
| US-20070111981-A1 | New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds | ROTH GERALD J | 2007-05-17 | — | — | US | disclosed |
| WO-2007048802-A1 | (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |