⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8609239 | 0.84 | — | — | |
| SCHEMBL363006 | 0.81 | — | — | |
| SCHEMBL845310 | 0.78 | — | — | |
| Ethylene Glycol SCHEMBL3135916 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL17469023 | 0.73 | — | — | |
| SCHEMBL4957733 | 0.73 | — | — | |
| SCHEMBL7649018 | 0.73 | — | — | |
| SCHEMBL16999370 | 0.71 | — | — | |
| SCHEMBL1270345 | 0.69 | — | — | |
| SCHEMBL115628 | 0.67 | — | — |
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-20120292626-A1 | OPTICAL AND THERMAL ENERGY CROSS-LINKABLE INSULATING LAYER MATERIAL FOR ORGANIC THIN FILM TRANSISTOR | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-11-22 | — | — | US | disclosed |