⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29957730 | 1.00 | — | — | |
| SCHEMBL323329 | 1.00 | — | — | |
| SCHEMBL28207855 | 0.98 | SLC6A3 (0.46) | — | |
| SCHEMBL29957306 | 0.86 | CA2 (0.48) | — | |
| SCHEMBL323960 | 0.86 | CA2 (0.48) | — | |
| SCHEMBL29956768 | 0.86 | CA2 (0.48) | — | |
| SCHEMBL3751301 | 0.85 | SLC6A3 (0.41) | — | |
| SCHEMBL715220 | 0.85 | GPR84 (0.50) | — | |
| Ethylene SCHEMBL12983468 | 0.85 | CA2 (0.47) | — | |
| SCHEMBL27358784 | 0.85 | CA2 (0.47) | — |
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 |