⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29953694 | 1.00 | — | — | |
| SCHEMBL29953164 | 0.98 | — | — | |
| SCHEMBL29951466 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL29954457 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL29951833 | 0.87 | CCNT1 (0.31) | — | |
| SCHEMBL853448 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL853226 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL29955455 | 0.77 | MAPK13 (0.32) | — | |
| SCHEMBL29956771 | 0.77 | ADAMTS5 (0.40) | — | |
| SCHEMBL29955220 | 0.77 | ADAMTS5 (0.40) | — |
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 |