⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18607322 | 0.92 | — | — | |
| SCHEMBL16475537 | 0.92 | — | — | |
| SCHEMBL10950187 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL14967010 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL19175405 | 0.73 | — | — | |
| SCHEMBL14080755 | 0.73 | — | — | |
| SCHEMBL29209890 | 0.70 | — | — | |
| SCHEMBL6448115 | 0.70 | BTN3A1 (0.33) | — | |
| SCHEMBL10644634 | 0.70 | — | — | |
| SCHEMBL4188554 | 0.70 | USP2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7414154-B2 | Polyamine compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-08-19 | — | — | US | disclosed |
| US-7314959-B2 | Amino thiol compounds and compositions for use in conjunction with cancer therapy | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2008-01-01 | — | — | US | disclosed |