⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17561029 | 0.69 | AKT2 (0.58) | — | |
| SCHEMBL9210535 | 0.67 | — | — | |
| SCHEMBL715013 | 0.65 | DYRK1A (0.46) | — | |
| Bromide SCHEMBL715020 | 0.65 | DYRK1A (0.46) | — | |
| SCHEMBL1205854 | 0.65 | — | — | |
| SCHEMBL22421339 | 0.65 | — | — | |
| SCHEMBL4889090 | 0.65 | — | — | |
| SCHEMBL1197102 | 0.65 | — | — | |
| SCHEMBL293242 | 0.65 | — | — | |
| SCHEMBL112351 | 0.65 | — | — |
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-4033956-A | 7[α-Amino-ω-(2,3-methylenedioxy-phenyl)acylamido]cephalosporanic acid derivatives | RICHARDSON-MERRELL INC. (US) | 1977-07-05 | — | — | US | disclosed |
| US-4020060-A | ANTIBACTERIAL, ANTIBIOTICS | RICHARDSON-MERRELL INC. (US) | 1977-04-26 | — | — | US | disclosed |