⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4485229 | 0.78 | GRM5 (0.32) | — | |
| SCHEMBL4475822 | 0.78 | GRM5 (0.32) | — | |
| SCHEMBL4485233 | 0.78 | GRM5 (0.32) | — | |
| SCHEMBL4484329 | 0.69 | — | — | |
| SCHEMBL18019020 | 0.64 | SLC6A3 (0.49) | — | |
| SCHEMBL4477755 | 0.64 | CHRM1 (0.44) | — | |
| SCHEMBL8450383 | 0.62 | CCR1 (0.39) | — | |
| SCHEMBL23346075 | 0.61 | KDM1A (0.38) | — | |
| SCHEMBL19462857 | 0.60 | OPRM1 (0.36) | — | |
| SCHEMBL4478469 | 0.59 | GRM5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592358-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-22 | — | — | US | disclosed |
| US-20050234101-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-10-20 | — | — | US | disclosed |