⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9295927 | 0.73 | — | — | |
| SCHEMBL823853 | 0.70 | — | — | |
| SCHEMBL23673185 | 0.70 | — | — | |
| SCHEMBL2461096 | 0.70 | — | — | |
| SCHEMBL1160514 | 0.67 | — | — | |
| SCHEMBL18583473 | 0.67 | — | — | |
| SCHEMBL9320588 | 0.67 | — | — | |
| SCHEMBL116540 | 0.67 | — | — | |
| SCHEMBL169919 | 0.65 | — | — | |
| SCHEMBL11740347 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6828450-B2 | Inhibiting nucleoside transport, inducing DNA fragmentation, inhibiting nucleic acid synthesis, inhibiting protein synthesis, decreasing the proliferation of cancer cells or decreasing the viability of cancer cells | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2004-12-07 | — | — | US | disclosed |
| US-20020091163-A1 | Triptycene analogs | KANSAS STATE UNIVERISTY RESEARCH FOUNDATION | 2002-07-11 | — | — | US | disclosed |
| WO-2002028808-A1 | TRIPTYCENE ANALOGS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2002-04-11 | — | — | WO | disclosed |