⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3792694 | 0.88 | MGLL (0.62) | — | |
| SCHEMBL29956794 | 0.85 | MGLL (0.56) | — | |
| SCHEMBL6209756 | 0.83 | MGLL (0.68) | — | |
| SCHEMBL29951102 | 0.83 | MGLL (0.68) | — | |
| SCHEMBL12876566 | 0.82 | MGLL (0.56) | — | |
| SCHEMBL2531101 | 0.81 | KDM4E (0.51) | — | |
| SCHEMBL4089550 | 0.81 | POLB (0.64) | — | |
| SCHEMBL3791341 | 0.80 | MGLL (0.72) | — | |
| SCHEMBL29951111 | 0.80 | NPC1 (0.52) | — | |
| SCHEMBL29957457 | 0.80 | POLB (0.59) | — |
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 |