⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6165984 | 0.81 | CCR1 (0.33) | — | |
| SCHEMBL6166511 | 0.77 | CYP3A4 (0.37) | — | |
| SCHEMBL6168755 | 0.76 | CTSA (0.32) | — | |
| SCHEMBL6166223 | 0.75 | ACKR3 (0.30) | — | |
| SCHEMBL6167494 | 0.67 | CCR1 (0.40) | — | |
| SCHEMBL4058724 | 0.66 | CCR1 (0.35) | — | |
| SCHEMBL6168510 | 0.66 | CCR1 (0.34) | — | |
| SCHEMBL4064042 | 0.66 | CCR1 (0.43) | — | |
| SCHEMBL6169667 | 0.66 | CCR1 (0.43) | — | |
| SCHEMBL4064274 | 0.66 | CCR1 (0.41) | — |
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-6689886-B2 | TREATMENT OF INFLAMMATION AND OTHER IMMUNE DISORDERS | PFIZER INC. | 2004-02-10 | — | — | US | disclosed |