⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17563729 | 0.80 | CXCR4 (0.36) | — | |
| SCHEMBL17563734 | 0.79 | L3MBTL1 (0.45) | — | |
| SCHEMBL6256220 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL15355913 | 0.67 | MAPT (0.44) | — | |
| SCHEMBL17563884 | 0.67 | — | — | |
| SCHEMBL11684387 | 0.66 | CYP1A2 (0.46) | — | |
| SCHEMBL17563812 | 0.65 | CXCL12 (0.39) | — | |
| SCHEMBL17826471 | 0.64 | HTT (0.46) | — | |
| SCHEMBL9292846 | 0.64 | TSHR (0.41) | — | |
| SCHEMBL18757583 | 0.64 | CXCR4 (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 |
|---|---|---|---|---|---|---|---|
| WO-2016036847-A1 | SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME | BATTELLE MEMORIAL INSTITUTE (US) | 2016-03-10 | — | — | WO | disclosed |