⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3263744 | 0.72 | — | — | |
| SCHEMBL3110654 | 0.72 | — | — | |
| SCHEMBL1171866 | 0.67 | — | — | |
| SCHEMBL6903394 | 0.67 | — | — | |
| SCHEMBL19583235 | 0.67 | — | — | |
| SCHEMBL9869603 | 0.65 | — | — | |
| SCHEMBL645473 | 0.63 | — | — | |
| SCHEMBL3110649 | 0.63 | — | — | |
| SCHEMBL11545811 | 0.63 | — | — | |
| SCHEMBL12590732 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451279-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS | Akebia Therapeutics Inc. (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005330-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS | AKEBIA THERAPEUTICS INC. (US) | 2011-01-13 | — | — | WO | disclosed |