⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14480520 | 0.98 | MAPT (0.37) | — | |
| SCHEMBL23014795 | 0.98 | MAPT (0.37) | — | |
| SCHEMBL4171688 | 0.92 | — | — | |
| SCHEMBL23567278 | 0.89 | CYP1A2 (0.30) | — | |
| SCHEMBL11859591 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL5325109 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL23567213 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL23567296 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL23567251 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL23567316 | 0.87 | CYP1A2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8217027-B2 | Sphingosine-1-phosphate receptor agonist and antagonist compounds | ABBOTT LABORATORIES (US) | 2012-07-10 | — | — | US | disclosed |
| US-7612153-B2 | conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents | INTEZYNE TECHNOLOGIES, INC. (US) | 2009-11-03 | — | — | US | disclosed |
| US-7601796-B2 | polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions | INTEZYNE TECHNOLOGIES, INC. (US) | 2009-10-13 | — | — | US | disclosed |
| US-20090029947-A1 | Sphingosine-1-phosphate receptor agonist and antagonist compounds | ABBVIE INC. | 2009-01-29 | — | — | US | disclosed |
| US-4245104-A | Isoxazolines and isoxazolidines | HOFFMANN-LA ROCHE INC. (US) | 1981-01-13 | — | — | US | disclosed |
| EP-0011777-A1 | Novel process for the manufacture of thiophene derivatives suited for the manufacture of biotin, process for the manufacture of biotin and novel intermediates in this process | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-06-11 | — | — | EP | disclosed |