⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20160787 | 0.86 | OPRL1 (0.39) | — | |
| SCHEMBL879862 | 0.81 | — | — | |
| SCHEMBL10064770 | 0.81 | OPRL1 (0.36) | — | |
| SCHEMBL18023849 | 0.78 | — | — | |
| SCHEMBL17284630 | 0.78 | — | — | |
| SCHEMBL17286056 | 0.78 | — | — | |
| SCHEMBL7980420 | 0.78 | — | — | |
| SCHEMBL15065692 | 0.78 | — | — | |
| SCHEMBL13064213 | 0.77 | OPRL1 (0.32) | — | |
| SCHEMBL18023852 | 0.75 | GNAI3 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120083489-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS | GLAXOSMITHKLINE LLC | 2012-04-05 | — | — | US | disclosed |