⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27702035 | 0.81 | MEN1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8535633 | 0.80 | — | — | |
| SCHEMBL27740689 | 0.77 | HDAC3 (0.35) | — | |
| SCHEMBL9669159 | 0.77 | — | — | |
| SCHEMBL11785635 | 0.77 | ADRA2A (0.32) | — | |
| SCHEMBL13154302 | 0.73 | — | — | |
| SCHEMBL8590123 | 0.71 | ALDH1A1 (0.48) | — | |
| SCHEMBL4445249 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL11126927 | 0.70 | HDAC3 (0.32) | — | |
| Allylamine SCHEMBL28106768 | 0.70 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101535040-A | Gas barrier film laminate | MITSUBISHI PLASTICS INC (JP) | 2009-09-16 | — | — | CN | disclosed |
| CN-101421097-A | Gas barrier laminate | MITSUBISHI PLASTICS INC (JP) | 2009-04-29 | — | — | CN | disclosed |