⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29956463 | 0.88 | — | — | |
| SCHEMBL29950947 | 0.84 | — | — | |
| SCHEMBL22967696 | 0.77 | — | — | |
| SCHEMBL18434959 | 0.73 | EPHX1 (0.34) | — | |
| SCHEMBL3694927 | 0.73 | SLC6A4 (0.34) | — | |
| SCHEMBL15332107 | 0.71 | — | — | |
| SCHEMBL8528688 | 0.71 | SLC6A3 (0.37) | — | |
| SCHEMBL20280038 | 0.69 | — | — | |
| SCHEMBL3226099 | 0.67 | EPHX1 (0.36) | — | |
| SCHEMBL3226095 | 0.65 | — | — |
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 |