⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6648313 | 0.70 | HTR1D (0.33) | — | |
| SCHEMBL15686698 | 0.69 | HPGD (0.33) | — | |
| SCHEMBL22278266 | 0.66 | TNKS2 (0.34) | — | |
| SCHEMBL14849319 | 0.65 | HPGD (0.39) | — | |
| SCHEMBL17026824 | 0.63 | ADRA2A (0.32) | — | |
| SCHEMBL16860588 | 0.62 | APEX1 (0.45) | — | |
| SCHEMBL17026965 | 0.61 | HPGD (0.33) | — | |
| SCHEMBL6793024 | 0.61 | RARB (0.32) | — | |
| SCHEMBL17026800 | 0.60 | KDM4E (0.35) | — | |
| SCHEMBL12535649 | 0.60 | CRHR1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2349273-B1 | MODULATORS OF CXCR7 | CHEMOCENTRYX INC (US) | 2015-04-08 | — | — | EP | disclosed |