⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15067131 | 0.89 | CHRM2 (0.31) | — | |
| SCHEMBL8893476 | 0.81 | FAAH (0.33) | — | |
| SCHEMBL15066286 | 0.76 | CHRM2 (0.33) | — | |
| SCHEMBL11792948 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL11016701 | 0.72 | ALOX15 (0.32) | — | |
| SCHEMBL10589219 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL34663 | 0.65 | CHRM2 (0.42) | — | |
| SCHEMBL10588007 | 0.64 | ALDH1A1 (0.57) | — | |
| SCHEMBL22392302 | 0.63 | — | — | |
| SCHEMBL8629010 | 0.63 | FAAH (0.42) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512074-B1 | MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS | SCRIPPS RESEARCH INST (US) | 1998-07-22 | — | — | EP | disclosed |
| US-5478728-A | Using bicyclo(2.21)heptane or bicyclo(2.2.2)octane compounds | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0512074-A4 | MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS | — | 1993-07-14 | — | — | EP | disclosed |
| EP-0260939-B1 | MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT CATALYTIC PROPERTIES | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1993-04-28 | — | — | EP | disclosed |
| US-5187086-A | Molecules with antibody combining sites that catalyze hydrolysis reactions through use of a charged hapten | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1993-02-16 | — | — | US | disclosed |
| EP-0512074-A1 | MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1992-11-11 | — | — | EP | disclosed |
| US-5126258-A | Hydrolysis of polypeptides at predetermined site | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1992-06-30 | — | — | US | disclosed |
| WO-1991011512-A1 | MOLECULES WITH ANTIBODY COMBINING SITES THAT CATALYSE HYDROLYSIS REACTIONS | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1991-08-08 | — | — | WO | disclosed |
| US-5030717-A | Binding site which bind to reactant ligand, stabilization | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1991-07-09 | — | — | US | disclosed |
| EP-0260939-A2 | Molecules with antibody combining sites that exhibit catalytic properties | SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) | 1988-03-23 | — | — | EP | disclosed |