⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17885903 | 0.89 | MMP1 (0.35) | — | |
| SCHEMBL19726696 | 0.80 | EPOR (0.35) | — | |
| SCHEMBL21440007 | 0.79 | KEAP1 (0.32) | — | |
| SCHEMBL19732464 | 0.79 | TLR2 (0.30) | — | |
| SCHEMBL19732552 | 0.78 | IDH1 (0.38) | — | |
| SCHEMBL19726664 | 0.76 | IDH1 (0.38) | — | |
| SCHEMBL19726704 | 0.76 | KEAP1 (0.32) | — | |
| SCHEMBL19726715 | 0.75 | MMP1 (0.33) | — | |
| SCHEMBL19732463 | 0.75 | — | — | |
| SCHEMBL22844963 | 0.74 | EPOR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170360956-A1 | FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF | LUMIPHORE, INC. | 2017-12-21 | — | — | US | disclosed |
| US-20170360956-A1 | FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF | LUMIPHORE, INC. | 2017-12-21 | — | — | US | disclosed |