⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25450652 | 0.75 | — | — | |
| SCHEMBL13464474 | 0.67 | — | — | |
| SCHEMBL13446172 | 0.62 | — | — | |
| SCHEMBL22396437 | 0.62 | — | — | |
| SCHEMBL12216089 | 0.60 | — | — | |
| SCHEMBL19808174 | 0.59 | — | — | |
| SCHEMBL22233995 | 0.57 | — | — | |
| SCHEMBL18235450 | 0.56 | — | — | |
| SCHEMBL25331699 | 0.56 | MAPK1 (0.31) | — | |
| SCHEMBL24847428 | 0.56 | — | — |
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-20100063071-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE | BIOGEN IDEC MA INC. | 2010-03-11 | — | — | US | disclosed |