⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18573743 | 0.74 | — | — | |
| SCHEMBL11911876 | 0.70 | — | — | |
| SCHEMBL18531897 | 0.69 | — | — | |
| SCHEMBL12793416 | 0.69 | — | — | |
| SCHEMBL6369883 | 0.69 | — | — | |
| SCHEMBL11787880 | 0.69 | — | — | |
| SCHEMBL14927022 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL18623679 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL13593716 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL15781001 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100063071-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE | BIOGEN IDEC MA INC. | 2010-03-11 | — | — | US | disclosed |
| US-20100063071-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE | BIOGEN IDEC MA INC. | 2010-03-11 | — | — | US | disclosed |
| US-20080004293-A1 | ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME | BIOGEN IDEC INC. | 2008-01-03 | — | — | US | disclosed |