⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2427812 | 0.73 | — | — | |
| SCHEMBL10697152 | 0.73 | — | — | |
| SCHEMBL10427707 | 0.71 | — | — | |
| SCHEMBL10427686 | 0.71 | — | — | |
| SCHEMBL2726510 | 0.71 | — | — | |
| SCHEMBL667678 | 0.71 | — | — | |
| SCHEMBL8708711 | 0.71 | — | — | |
| SCHEMBL6242950 | 0.71 | ANPEP (0.40) | — | |
| SCHEMBL6120973 | 0.69 | — | — | |
| SCHEMBL5553217 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4360665-A | 4\"-N-(Substituted)-apramycin antibiotic derivatives and intermediates therefor | ELI LILLY AND COMPANY (US) | 1982-11-23 | — | — | US | disclosed |