⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12166747 | 0.85 | CA1 (0.50) | — | |
| SCHEMBL12166513 | 0.85 | CA1 (0.33) | — | |
| SCHEMBL12166567 | 0.85 | CA1 (0.33) | — | |
| SCHEMBL10409670 | 0.83 | — | — | |
| SCHEMBL20466912 | 0.80 | — | — | |
| SCHEMBL6902530 | 0.79 | — | — | |
| SCHEMBL12166510 | 0.79 | MGAM (0.35) | — | |
| SCHEMBL27952781 | 0.76 | SHBG (0.42) | — | |
| SCHEMBL13909214 | 0.76 | — | — | |
| SCHEMBL12717871 | 0.75 | GLB1 (0.39) | — |
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-1741428-A2 | Cell adhesion inhibitors | Biogen Idec MA, Inc. (US) | 2007-01-10 | — | — | EP | disclosed |