⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21539650 | 0.86 | MTNR1A (0.35) | — | |
| SCHEMBL18797966 | 0.86 | MTNR1A (0.35) | — | |
| SCHEMBL17337159 | 0.85 | KAT2B (0.32) | — | |
| SCHEMBL17337156 | 0.85 | KAT2B (0.32) | — | |
| SCHEMBL23129981 | 0.85 | — | — | |
| SCHEMBL19228023 | 0.83 | ALDH1A1 (0.30) | — | |
| SCHEMBL18797968 | 0.83 | KMT2A (0.31) | — | |
| SCHEMBL19662835 | 0.83 | MTNR1A (0.31) | — | |
| SCHEMBL18797962 | 0.82 | PRMT5 (0.32) | — | |
| SCHEMBL18797977 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9637504-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2017-05-02 | — | — | US | disclosed |