⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5812786 | 0.78 | KDM1A (0.39) | — | |
| SCHEMBL23085581 | 0.76 | KDM1A (0.40) | — | |
| SCHEMBL28164961 | 0.76 | KDM1A (0.40) | — | |
| SCHEMBL933476 | 0.74 | KDM1A (0.38) | — | |
| SCHEMBL22040872 | 0.71 | KDM1A (0.40) | — | |
| SCHEMBL27320258 | 0.71 | CHRM5 (0.39) | — | |
| SCHEMBL14899968 | 0.71 | KDM1A (0.35) | — | |
| SCHEMBL7625537 | 0.70 | KDM1A (0.39) | — | |
| SCHEMBL7620778 | 0.70 | KDM1A (0.39) | — | |
| SCHEMBL5668812 | 0.70 | — | — |
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-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | disclosed |