⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5251072 | 0.74 | KMT2A (0.52) | — | |
| SCHEMBL10387977 | 0.72 | KMT2A (0.59) | — | |
| SCHEMBL5803965 | 0.69 | SCN4A (0.47) | — | |
| SCHEMBL11512639 | 0.67 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL11752182 | 0.67 | GSTP1 (0.33) | — | |
| SCHEMBL9018900 | 0.66 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL515463 | 0.64 | MAPT (0.40) | — | |
| SCHEMBL5378587 | 0.64 | — | — | |
| SCHEMBL24314191 | 0.63 | L3MBTL1 (0.39) | — | |
| SCHEMBL6298723 | 0.63 | KDM4E (0.41) | — |
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-4060688-A | Cephalosporin intermediates | ELI LILLY AND COMPANY (US) | 1977-11-29 | — | — | US | disclosed |