⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5218967 | 0.78 | DRD2 (0.35) | — | |
| SCHEMBL1615172 | 0.76 | DRD2 (0.35) | — | |
| SCHEMBL8078647 | 0.76 | DRD2 (0.32) | — | |
| SCHEMBL5220050 | 0.74 | HTR1D (0.35) | — | |
| SCHEMBL5222639 | 0.73 | — | — | |
| SCHEMBL1614837 | 0.72 | S1PR1 (0.32) | — | |
| SCHEMBL1614178 | 0.72 | DRD2 (0.40) | — | |
| SCHEMBL3164236 | 0.69 | DRD2 (0.35) | — | |
| SCHEMBL3159469 | 0.69 | DRD2 (0.33) | — | |
| SCHEMBL942206 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6767919-B2 | 1-(N,N-DIALKYLAMINOALKYL)-4-SILYLOXYTHIOXANTHONE DERIVATIVES; ADMINISTERED IN NONTOXIC, PROTO-DRUG FORM; TIME DELAY ALLOWS FOR DIFFERENTIAL CONCENTRATION IN TARGET TISSUES OR CELLS; ACTIVATED BY DRUG | WALKER CANCER RESEARCH INSTITUTE, INC. | 2004-07-27 | — | — | US | claimed |
| US-20040116508-A1 | HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS | WALKER CANCER RESEARCH INSTITUTE, INC. | 2004-06-17 | — | — | US | claimed |
| US-20040192578-A1 | High specificity anticancer drug design process | WALKER EVAN HARRIS (US) | 2004-09-30 | — | — | US | disclosed |
| US-6767919-B2 | 1-(N,N-DIALKYLAMINOALKYL)-4-SILYLOXYTHIOXANTHONE DERIVATIVES; ADMINISTERED IN NONTOXIC, PROTO-DRUG FORM; TIME DELAY ALLOWS FOR DIFFERENTIAL CONCENTRATION IN TARGET TISSUES OR CELLS; ACTIVATED BY DRUG | WALKER CANCER RESEARCH INSTITUTE, INC. | 2004-07-27 | — | — | US | disclosed |
| US-20040116508-A1 | HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS | WALKER CANCER RESEARCH INSTITUTE, INC. | 2004-06-17 | — | — | US | disclosed |