⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23837412 | 0.92 | CYP1A2 (0.30) | — | |
| SCHEMBL19228055 | 0.89 | — | — | |
| SCHEMBL19663698 | 0.88 | USP2 (0.31) | — | |
| SCHEMBL22667424 | 0.87 | MTNR1A (0.34) | — | |
| SCHEMBL22667460 | 0.86 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL23129944 | 0.86 | MTNR1A (0.31) | — | |
| SCHEMBL18797983 | 0.85 | — | — | |
| SCHEMBL19227891 | 0.85 | MTNR1A (0.32) | — | |
| SCHEMBL18797986 | 0.85 | MTNR1A (0.32) | — | |
| SCHEMBL19228022 | 0.84 | TAOK3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9783555-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2017-10-10 | — | — | US | disclosed |
| US-20170226135-A1 | BETA-LACTAMASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-08-10 | — | — | US | disclosed |
| US-9637504-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2017-05-02 | — | — | US | disclosed |