⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1564309 | 0.83 | PDK1 (0.30) | — | |
| SCHEMBL14635669 | 0.69 | — | — | |
| SCHEMBL14635529 | 0.69 | — | — | |
| SCHEMBL14636362 | 0.68 | OPRK1 (0.32) | — | |
| SCHEMBL30782086 | 0.63 | — | — | |
| SCHEMBL11649346 | 0.62 | EPHX1 (0.30) | — | |
| SCHEMBL2667281 | 0.61 | POLB (0.36) | — | |
| SCHEMBL12125059 | 0.59 | POLB (0.34) | — | |
| SCHEMBL712265 | 0.58 | MAPT (0.33) | — | |
| SCHEMBL21582231 | 0.57 | EPHX1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2013010453-A1 | CHEMOKING RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | WO | disclosed |