⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17337190 | 0.88 | CYP2C8 (0.30) | — | |
| SCHEMBL17337187 | 0.88 | CYP2C8 (0.30) | — | |
| SCHEMBL23837330 | 0.79 | PARP1 (0.30) | — | |
| SCHEMBL23837340 | 0.77 | HPGD (0.33) | — | |
| SCHEMBL23837318 | 0.77 | ACLY (0.30) | — | |
| SCHEMBL23837447 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL23837322 | 0.77 | MTNR1A (0.32) | — | |
| SCHEMBL21698374 | 0.71 | PARP1 (0.32) | — | |
| SCHEMBL21698406 | 0.70 | — | — | |
| SCHEMBL18797959 | 0.69 | SMYD3 (0.39) | — |
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 |