⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10249614 | 0.97 | CA2 (0.39) | — | |
| SCHEMBL76625 | 0.85 | — | — | |
| SCHEMBL3955608 | 0.85 | — | — | |
| SCHEMBL11990606 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL17613231 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL23130636 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL17613220 | 0.82 | HIF1A (0.41) | — | |
| Phosphine SCHEMBL21227051 | 0.82 | CA2 (0.42) | — | |
| SCHEMBL18768831 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL13284809 | 0.82 | CA2 (0.42) | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |