⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23837496 | 0.86 | MTNR1A (0.31) | — | |
| SCHEMBL17347833 | 0.85 | CAT (0.30) | — | |
| SCHEMBL23837348 | 0.74 | CA12 (0.30) | — | |
| SCHEMBL23130239 | 0.73 | MTNR1A (0.30) | — | |
| SCHEMBL17347791 | 0.73 | MTNR1A (0.30) | — | |
| SCHEMBL17347778 | 0.73 | — | — | |
| SCHEMBL23130252 | 0.72 | OPRK1 (0.34) | — | |
| SCHEMBL17347653 | 0.72 | MTNR1A (0.33) | — | |
| SCHEMBL17347774 | 0.70 | CAT (0.33) | — | |
| SCHEMBL23130010 | 0.70 | CAT (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 |