⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29957941 | 0.84 | GAA (0.32) | — | |
| SCHEMBL23331899 | 0.84 | CA2 (0.36) | — | |
| SCHEMBL29956751 | 0.74 | HTR5A (0.30) | — | |
| SCHEMBL25162463 | 0.74 | HTR5A (0.30) | — | |
| SCHEMBL22489731 | 0.74 | — | — | |
| SCHEMBL29952537 | 0.74 | PDE4D (0.38) | — | |
| SCHEMBL1866579 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL17681785 | 0.72 | — | — | |
| SCHEMBL29956350 | 0.71 | PLAU (0.32) | — | |
| SCHEMBL29955665 | 0.71 | ENPP2 (0.36) | — |
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 |