⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL713669 | 0.94 | CA1 (0.32) | — | |
| SCHEMBL528886 | 0.69 | — | — | |
| SCHEMBL666004 | 0.65 | DPP4 (0.33) | — | |
| SCHEMBL4194106 | 0.65 | DPP4 (0.33) | — | |
| SCHEMBL666821 | 0.65 | DPP4 (0.33) | — | |
| SCHEMBL2781581 | 0.65 | — | — | |
| SCHEMBL715893 | 0.65 | — | — | |
| SCHEMBL4836161 | 0.64 | POLB (0.41) | — | |
| SCHEMBL1679214 | 0.64 | CA12 (0.59) | — | |
| SCHEMBL4836163 | 0.64 | POLB (0.41) | — |
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 4 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 |
| US-20060205697-A1 | Novel betulin derivatives, preparation thereof and use thereof | MYREXIS, INC. | 2006-09-14 | — | — | US | disclosed |