⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL280620 | 0.72 | — | — | |
| SCHEMBL2597660 | 0.64 | — | — | |
| SCHEMBL28627874 | 0.64 | — | — | |
| SCHEMBL6102 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL9538650 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL27674548 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL12685525 | 0.62 | — | — | |
| SCHEMBL11548513 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL8648455 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL11594155 | 0.60 | ALDH1A1 (0.32) | — |
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-20120329842-A1 | SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-12-27 | — | — | US | disclosed |
| WO-2012088283-A1 | SMALL MOLECULE COMPOUNDS AS BROAD-SPECTRUM INHIBITORS OF METALLO-BETA-LACTAMASES | BAYLOR COLLEGE OF MEDICINE (US) | 2012-06-28 | — | — | WO | disclosed |