⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL3631014 | 0.94 | — | — | |
| SCHEMBL29981082 | 0.86 | — | — | |
| SCHEMBL1352998 | 0.80 | — | — | |
| SCHEMBL15876545 | 0.79 | — | — | |
| SCHEMBL28546521 | 0.77 | KMT2A (0.30) | — | |
| SCHEMBL471957 | 0.72 | PTGER4 (0.31) | — | |
| SCHEMBL454927 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL3390608 | 0.65 | — | — | |
| SCHEMBL9008981 | 0.63 | — | — | |
| SCHEMBL8744936 | 0.63 | — | — |
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-2448965-A1 | MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF | Angiochem Inc. (CA) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011000095-A1 | MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF | ANGIOCHEM INC. (CA) | 2011-01-06 | — | — | WO | disclosed |