⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6263273 | 0.85 | SLC6A3 (0.35) | — | |
| SCHEMBL6258081 | 0.77 | TDP1 (0.32) | — | |
| SCHEMBL6261632 | 0.74 | NOS2 (0.33) | — | |
| SCHEMBL6258467 | 0.68 | PGK1 (0.31) | — | |
| SCHEMBL9348009 | 0.61 | — | — | |
| SCHEMBL2819116 | 0.60 | LAP3 (0.53) | — | |
| SCHEMBL3343710 | 0.59 | — | — | |
| SCHEMBL3343706 | 0.59 | — | — | |
| SCHEMBL18826043 | 0.59 | LAP3 (0.46) | — | |
| SCHEMBL2474660 | 0.59 | — | — |
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 |