⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22321838 | 0.88 | — | — | |
| SCHEMBL22321841 | 0.88 | — | — | |
| SCHEMBL22321843 | 0.88 | — | — | |
| SCHEMBL31191808 | 0.85 | SHBG (0.32) | — | |
| SCHEMBL31191735 | 0.85 | SHBG (0.32) | — | |
| SCHEMBL21259624 | 0.83 | SHBG (0.39) | — | |
| SCHEMBL1370484 | 0.83 | SHBG (0.39) | — | |
| SCHEMBL9998650 | 0.81 | — | — | |
| SCHEMBL1439895 | 0.80 | — | — | |
| SCHEMBL1946501 | 0.80 | — | — |
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-RE47428-E1 | Modulators of methyl modifying enzymes, compositions and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2019-06-11 | — | — | US | disclosed |