⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16178649 | 0.81 | — | — | |
| SCHEMBL16178511 | 0.77 | GRIA1 (0.35) | — | |
| SCHEMBL16178580 | 0.77 | CA1 (0.44) | — | |
| SCHEMBL16178647 | 0.77 | — | — | |
| SCHEMBL7645749 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL16178173 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL5838629 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL16178563 | 0.70 | CYP19A1 (0.34) | — | |
| SCHEMBL7645199 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL14861711 | 0.68 | — | — |
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-9371337-B2 | β-lactamase inhibitors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-06-21 | — | — | US | disclosed |
| US-20140315861-A1 | BETA-LACTAMASE INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-23 | — | — | US | disclosed |