⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17184552 | 0.79 | KMT2A (0.31) | — | |
| SCHEMBL1508965 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL3273462 | 0.73 | — | — | |
| SCHEMBL14801604 | 0.71 | USP2 (0.36) | — | |
| SCHEMBL1979673 | 0.69 | MEN1 (0.30) | — | |
| SCHEMBL27036887 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL15285537 | 0.68 | DGAT1 (0.34) | — | |
| SCHEMBL29155913 | 0.67 | USP2 (0.33) | — | |
| SCHEMBL1982449 | 0.67 | — | — | |
| SCHEMBL22165847 | 0.67 | MEN1 (0.30) | — |
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-20110015225-A1 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-01-20 | — | — | US | disclosed |