⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6177083 | 0.77 | — | — | |
| SCHEMBL19514706 | 0.76 | CHRM2 (0.33) | — | |
| SCHEMBL41347 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL4386155 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1408772 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL9230926 | 0.67 | ALDH1A1 (0.32) | — | |
| Clorethate SCHEMBL41346 | 0.67 | CHRM2 (0.39) | — | |
| SCHEMBL9230930 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL8420894 | 0.65 | — | — | |
| SCHEMBL28182083 | 0.65 | ALDH1A1 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7022691-B2 | Inhibitors of serine and metallo-β-lactamases | Buynak, John D. (US) | 2006-04-04 | — | — | US | disclosed |
| US-20030216372-A1 | Inhibitors of serine and metallo-beta-lactamases | ALAMX L.L.C. | 2003-11-20 | — | — | US | disclosed |
| WO-2003087105-A1 | INHIBITORS OF SERINE AND METALLO-ß-LACTAMASES | ALAMX, L.L.C. (US) | 2003-10-23 | — | — | WO | disclosed |
| US-3978078-A | Process for the preparation of ampicillin | RHONE-POULENC S.A. (FR) | 1976-08-31 | — | — | US | disclosed |