⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20052042 | 0.76 | ATM (0.31) | — | |
| SCHEMBL415332 | 0.76 | — | — | |
| SCHEMBL13391543 | 0.74 | — | — | |
| SCHEMBL31029454 | 0.74 | — | — | |
| SCHEMBL19798957 | 0.73 | BCHE (0.35) | — | |
| SCHEMBL17464288 | 0.72 | — | — | |
| SCHEMBL12879227 | 0.72 | MAPT (0.30) | — | |
| SCHEMBL13876916 | 0.71 | CYP3A4 (0.38) | — | |
| SCHEMBL14026513 | 0.71 | CYP3A4 (0.38) | — | |
| SCHEMBL14366860 | 0.70 | CPT2 (0.36) | — |
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-9944658-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2018-04-17 | — | — | US | disclosed |