⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12232362 | 0.82 | ALDH1A1 (0.40) | — | |
| SCHEMBL16433403 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL342382 | 0.75 | GLO1 (0.32) | — | |
| SCHEMBL22582940 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL3049017 | 0.69 | PAM (0.40) | — | |
| SCHEMBL9202292 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL2175401 | 0.65 | MGAM (0.46) | — | |
| SCHEMBL11178486 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL12088001 | 0.65 | THRB (0.46) | — | |
| SCHEMBL4596390 | 0.65 | GLO1 (0.39) | — |
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-8946144-B2 | Phosphonated glycopeptide and lipoglycopeptide antibiotics and uses thereof for the prevention and treatment of bone and joint infections | THE MEDICINES COMPANY (US) | 2015-02-03 | — | — | US | disclosed |
| US-20100113333-A1 | PHOSPHONATED GLYCOPEPTIDE AND LIPOGLYCOPEPTIDE ANTIBIOTICS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS | TARGANTA THERAPEUTICS, INC. (CA) | 2010-05-06 | — | — | US | disclosed |