⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25739664 | 0.89 | — | — | |
| SCHEMBL22254588 | 0.73 | — | — | |
| SCHEMBL25893639 | 0.69 | — | — | |
| SCHEMBL25739661 | 0.69 | — | — | |
| SCHEMBL2842886 | 0.65 | — | — | |
| SCHEMBL2838082 | 0.65 | — | — | |
| SCHEMBL2836152 | 0.65 | — | — | |
| SCHEMBL3689816 | 0.65 | EPHX1 (0.33) | — | |
| SCHEMBL1020014 | 0.65 | — | — | |
| SCHEMBL2841035 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2953941-B1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2017-04-05 | — | — | EP | disclosed |