⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18486761 | 0.90 | FFAR1 (0.32) | — | |
| SCHEMBL20033411 | 0.82 | PDE2A (0.34) | — | |
| SCHEMBL20033410 | 0.78 | CLK4 (0.36) | — | |
| SCHEMBL20033409 | 0.76 | EGLN2 (0.34) | — | |
| SCHEMBL18855138 | 0.76 | KIF11 (0.40) | — | |
| SCHEMBL20219166 | 0.76 | CYP11B1 (0.31) | — | |
| SCHEMBL10001791 | 0.76 | HDAC4 (0.30) | — | |
| SCHEMBL18486762 | 0.75 | FFAR1 (0.42) | — | |
| SCHEMBL20033406 | 0.74 | CYP11B2 (0.36) | — | |
| SCHEMBL27972145 | 0.72 | CYP2A6 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3334801-B1 | MATERIAL COMBINATION | MERCK PATENT GMBH (DE) | 2020-05-27 | — | — | EP | disclosed |