⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11726006 | 0.84 | CHRM2 (0.48) | — | |
| SCHEMBL3880356 | 0.80 | CHRM2 (0.45) | — | |
| SCHEMBL24740928 | 0.78 | MAOA (0.36) | — | |
| SCHEMBL5661000 | 0.72 | HTR1A (0.50) | — | |
| SCHEMBL9139703 | 0.72 | HTR1A (0.41) | — | |
| SCHEMBL3963542 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL11792048 | 0.71 | MAOA (0.32) | — | |
| SCHEMBL23246173 | 0.70 | MAOA (0.37) | — | |
| SCHEMBL8567468 | 0.70 | GSK3A (0.46) | — | |
| SCHEMBL8061326 | 0.70 | LMNA (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9447038-B2 | Substituted B-amino acid derivatives as CXCR3 receptor antagonists | SANOFI (FR) | 2016-09-20 | — | — | US | disclosed |
| US-9073853-B2 | Cycloalkane carboxylic acid derivatives as CXCR3 receptor antagonists | SANOFI (FR) | 2015-07-07 | — | — | US | disclosed |
| US-20150073004-A1 | SUBSTITUTED B-AMINO ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS | SANOFI (FR) | 2015-03-12 | — | — | US | disclosed |
| US-20140288106-A1 | CYCLOALKANE CARBOXYLIC ACID DERIVATIVES AS CXCR3 RECEPTOR ANTAGONISTS | SANOFI (FR) | 2014-09-25 | — | — | US | disclosed |