⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2499917 | 0.67 | CA1 (0.45) | — | |
| SCHEMBL23200 | 0.64 | — | — | |
| SCHEMBL331972 | 0.64 | CA12 (0.47) | — | |
| SCHEMBL9202723 | 0.60 | ALDH1A1 (0.47) | — | |
| SCHEMBL451985 | 0.60 | — | — | |
| SCHEMBL126263 | 0.60 | — | — | |
| SCHEMBL22814 | 0.57 | — | — | |
| SCHEMBL9853649 | 0.57 | AOC3 (0.30) | — | |
| SCHEMBL9537455 | 0.57 | KDM4E (0.35) | — | |
| SCHEMBL1734067 | 0.56 | — | — |
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-1254164-A2 | SELECTIVE N-ACYLATION OF A82846 GLYCOPEPTIDE ANALOGS | ELI LILLY AND COMPANY (US) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058933-A2 | SELECTIVE N-ACYLATION OF A82846 GLYCOPEPTIDE ANALOGS | ELI LILLY AND COMPANY (US) | 2001-08-16 | — | — | WO | disclosed |