⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11283898 | 1.00 | — | — | |
| SCHEMBL11027824 | 0.82 | BRD4 (0.32) | — | |
| SCHEMBL11027826 | 0.82 | BRD4 (0.32) | — | |
| SCHEMBL10887561 | 0.81 | — | — | |
| SCHEMBL10887573 | 0.81 | — | — | |
| SCHEMBL11026451 | 0.80 | BRD4 (0.33) | — | |
| SCHEMBL11032563 | 0.78 | POLB (0.45) | — | |
| SCHEMBL11032560 | 0.78 | POLB (0.45) | — | |
| SCHEMBL11027530 | 0.76 | GAA (0.32) | — | |
| SCHEMBL11029718 | 0.76 | CA2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0061765-B1 | BETA-LACTAMS | E.R. SQUIBB & SONS, INC. (US) | 1985-08-28 | — | — | EP | disclosed |
| US-4478749-A | AMINO ACID DERTIVATIVES ANTIBIOTICS | E. R. SQUIBB & SONS, INC. (US) | 1984-10-23 | — | — | US | disclosed |
| EP-0061765-A1 | Beta-Lactams | E.R. SQUIBB & SONS, INC. (US) | 1982-10-06 | — | — | EP | disclosed |