⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20758575 | 1.00 | — | — | |
| SCHEMBL27379204 | 1.00 | — | — | |
| SCHEMBL10061284 | 1.00 | — | — | |
| SCHEMBL474475 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30665810 | 0.97 | — | — | |
| SCHEMBL657268 | 0.87 | SLC6A1 (0.35) | — | |
| SCHEMBL20202125 | 0.87 | MBTD1 (0.36) | — | |
| SCHEMBL4124624 | 0.87 | MBTD1 (0.36) | — | |
| SCHEMBL29412823 | 0.87 | MBTD1 (0.36) | — | |
| SCHEMBL1545958 | 0.85 | EPAS1 (0.36) | — |
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-20120077795-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXSMITHKLINE LLC (US) | 2012-03-29 | — | — | US | disclosed |
| WO-2010141540-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GLAXOSMITHKLINE LLC (US) | 2010-12-09 | — | — | WO | disclosed |