⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6257451 | 0.83 | MMP1 (0.33) | — | |
| SCHEMBL6262023 | 0.81 | MMP1 (0.33) | — | |
| SCHEMBL6261704 | 0.80 | — | — | |
| SCHEMBL6263035 | 0.79 | CA1 (0.36) | — | |
| SCHEMBL6260667 | 0.76 | METAP1 (0.33) | — | |
| SCHEMBL6263047 | 0.75 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL6258638 | 0.75 | L3MBTL1 (0.44) | — | |
| SCHEMBL6262026 | 0.73 | — | — | |
| SCHEMBL6260997 | 0.73 | EPHX2 (0.41) | — | |
| SCHEMBL6261898 | 0.72 | HPGD (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | claimed |
| WO-2005080406-A2 | COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF | JERINI AG (DE) | 2005-09-01 | — | — | WO | disclosed |