⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6864278 | 0.78 | CTSL (0.39) | — | |
| SCHEMBL20149212 | 0.76 | FEN1 (0.37) | — | |
| SCHEMBL29951564 | 0.75 | P2RX7 (0.35) | — | |
| SCHEMBL9027842 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL18953972 | 0.75 | KDM1A (0.32) | — | |
| SCHEMBL5582602 | 0.75 | — | — | |
| SCHEMBL5513336 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL29467968 | 0.73 | LOXL2 (0.39) | — | |
| SCHEMBL20149118 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL5513611 | 0.71 | ALDH1A1 (0.45) | — |
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 |