⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7143894 | 0.98 | KDM4E (0.31) | — | |
| SCHEMBL7143031 | 0.98 | KDM4E (0.31) | — | |
| SCHEMBL7143029 | 0.98 | KDM4E (0.31) | — | |
| SCHEMBL13767336 | 0.94 | PSMB11 (0.30) | — | |
| SCHEMBL12657295 | 0.94 | PSMB11 (0.30) | — | |
| SCHEMBL14287526 | 0.86 | — | — | |
| SCHEMBL7994792 | 0.84 | NPC1 (0.30) | — | |
| SCHEMBL28637089 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL1524643 | 0.78 | — | — | |
| SCHEMBL1698014 | 0.73 | USP2 (0.31) | — |
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-1448566-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045942-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-06-05 | — | — | WO | disclosed |