⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24890582 | 0.72 | — | — | |
| SCHEMBL23288610 | 0.72 | TP53 (0.41) | — | |
| SCHEMBL23486494 | 0.72 | DPP4 (0.37) | — | |
| SCHEMBL5042210 | 0.71 | CES2 (0.46) | — | |
| SCHEMBL17430884 | 0.71 | CES2 (0.46) | — | |
| SCHEMBL17731563 | 0.68 | PIK3CD (0.33) | — | |
| SCHEMBL23486736 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL23486638 | 0.65 | POLB (0.35) | — | |
| SCHEMBL23486737 | 0.64 | CHRNB2 (0.42) | — | |
| SCHEMBL22995951 | 0.64 | — | — |
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-2970305-B1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS INC (US) | 2017-02-22 | — | — | EP | disclosed |