⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4598373 | 0.83 | GNAI3 (0.32) | — | |
| SCHEMBL4596047 | 0.71 | SLC6A9 (0.36) | — | |
| SCHEMBL4597794 | 0.68 | HCRTR1 (0.31) | — | |
| SCHEMBL4598029 | 0.67 | PIK3C3 (0.33) | — | |
| SCHEMBL4596509 | 0.67 | CYP2C19 (0.34) | — | |
| SCHEMBL4597409 | 0.60 | — | — | |
| SCHEMBL4597551 | 0.56 | — | — | |
| SCHEMBL14279702 | 0.55 | OPRM1 (0.35) | — | |
| SCHEMBL14968843 | 0.55 | PIK3C3 (0.35) | — | |
| SCHEMBL22635771 | 0.54 | HTR2A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1924265-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | Genzyme Corporation (US) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007022371-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2007-02-22 | — | — | WO | disclosed |