⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9893351 | 0.87 | CCNE1 (0.31) | — | |
| SCHEMBL8740492 | 0.77 | STING1 (0.34) | — | |
| SCHEMBL15999222 | 0.77 | NOTUM (0.31) | — | |
| SCHEMBL9893507 | 0.76 | CCNE1 (0.31) | — | |
| SCHEMBL15991842 | 0.75 | PSMB8 (0.31) | — | |
| SCHEMBL19067682 | 0.73 | MAPT (0.32) | — | |
| SCHEMBL9893276 | 0.73 | — | — | |
| SCHEMBL21713130 | 0.73 | DDB1 (0.34) | — | |
| SCHEMBL12085976 | 0.73 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL17634438 | 0.72 | CCNE1 (0.31) | — |
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-8901072-B2 | Glycopeptide and lipoglycopeptide antibiotics with improved solubility | THE MEDICINES COMPANY (US) | 2014-12-02 | — | — | US | disclosed |
| US-20120149632-A1 | GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS WITH IMPROVED SOLUBILITY | THE MEDICINES COMPANY (US) | 2012-06-14 | — | — | US | disclosed |