⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5220470 | 0.84 | — | — | |
| SCHEMBL5222639 | 0.66 | — | — | |
| SCHEMBL7259160 | 0.61 | L3MBTL1 (0.32) | — | |
| SCHEMBL1254779 | 0.60 | S1PR5 (0.32) | — | |
| SCHEMBL5220050 | 0.60 | HTR1D (0.35) | — | |
| SCHEMBL1615124 | 0.58 | MEN1 (0.32) | — | |
| SCHEMBL8500895 | 0.56 | PNMT (0.33) | — | |
| SCHEMBL1614168 | 0.56 | PTPRC (0.32) | — | |
| SCHEMBL9972868 | 0.56 | CYP3A4 (0.44) | — | |
| Trimethylammonium SCHEMBL10477929 | 0.56 | HTR2A (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1572676-A4 | HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS | WALKER CANCER RES INST INC (US) | 2007-07-25 | — | — | EP | claimed |
| EP-1572676-A2 | HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS | Walker Cancer Research Institute, Inc. (US) | 2005-09-14 | — | — | EP | claimed |
| WO-2004058143-A2 | HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS | WALKER CANCER RESEARCH INSTITUTE, INC. (US) | 2004-07-15 | — | — | WO | claimed |