⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14219507 | 0.85 | — | — | |
| SCHEMBL2025386 | 0.78 | — | — | |
| SCHEMBL27586342 | 0.72 | OPRM1 (0.31) | — | |
| SCHEMBL37541 | 0.70 | DNM1 (0.33) | — | |
| SCHEMBL28394445 | 0.70 | DNM1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28958687 | 0.69 | DNM1 (0.36) | — | |
| SCHEMBL442663 | 0.69 | — | — | |
| SCHEMBL28378589 | 0.67 | CYP1A2 (0.31) | — | |
| SCHEMBL4293728 | 0.67 | CYP1A2 (0.31) | — | |
| Ethylamine SCHEMBL28481203 | 0.66 | ALDH1A1 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090267489-A1 | GAS BARRIER THIN FILM LAMINATE, GAS BARRIER RESIN SUBSTRATE AND ORGANIC EL DEVICE | KONICA MINOLTA HOLDINGS, INC. (JP) | 2009-10-29 | — | — | US | disclosed |