⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17337072 | 0.89 | KCNA3 (0.31) | — | |
| SCHEMBL17337069 | 0.89 | KCNA3 (0.31) | — | |
| SCHEMBL23837470 | 0.79 | PARP1 (0.33) | — | |
| SCHEMBL23837356 | 0.77 | — | — | |
| SCHEMBL18957145 | 0.76 | PARP1 (0.32) | — | |
| SCHEMBL18957148 | 0.76 | PARP1 (0.32) | — | |
| SCHEMBL23837281 | 0.75 | — | — | |
| SCHEMBL23837296 | 0.74 | HTT (0.40) | — | |
| SCHEMBL17349994 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL17337205 | 0.74 | DRD2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882252-A1 | BETA-LACTAMASE INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2021-09-22 | — | — | EP | disclosed |