⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20299369 | 0.89 | — | — | |
| SCHEMBL9297048 | 0.84 | — | — | |
| SCHEMBL27188788 | 0.83 | — | — | |
| SCHEMBL17272515 | 0.81 | — | — | |
| SCHEMBL9520004 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL3387204 | 0.67 | CHRM2 (0.34) | — | |
| SCHEMBL127981 | 0.65 | — | — | |
| SCHEMBL153192 | 0.63 | — | — | |
| SCHEMBL22715970 | 0.63 | — | — | |
| SCHEMBL20425156 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013010453-A1 | CHEMOKING RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | WO | claimed |
| WO-2013010453-A1 | CHEMOKING RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | WO | disclosed |