⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14579592 | 0.66 | CCR1 (0.35) | — | |
| SCHEMBL10893564 | 0.59 | CNR2 (0.49) | — | |
| SCHEMBL10889974 | 0.53 | KCNH2 (0.46) | — | |
| SCHEMBL8746233 | 0.52 | CNR2 (0.53) | — | |
| SCHEMBL14596279 | 0.52 | ALDH1A1 (0.69) | — | |
| SCHEMBL2881066 | 0.51 | CNR2 (0.63) | — | |
| SCHEMBL10148475 | 0.50 | PTGS2 (0.35) | — | |
| SCHEMBL1016971 | 0.50 | KMT2A (0.71) | — | |
| SCHEMBL15984367 | 0.49 | ALDH1A1 (0.50) | — | |
| SCHEMBL11699940 | 0.49 | HSD17B10 (0.48) | — |
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-7541365-B2 | Chemokine receptor antagonists and methods of use therefor | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-06-02 | — | — | US | disclosed |