⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2377867 | 0.75 | — | — | |
| SCHEMBL18923317 | 0.66 | — | — | |
| SCHEMBL7927970 | 0.65 | — | — | |
| SCHEMBL10914607 | 0.63 | — | — | |
| SCHEMBL1378256 | 0.63 | — | — | |
| SCHEMBL1378257 | 0.63 | — | — | |
| SCHEMBL8982115 | 0.63 | — | — | |
| Iodide SCHEMBL11041810 | 0.62 | — | — | |
| SCHEMBL11211983 | 0.59 | — | — | |
| SCHEMBL18932313 | 0.57 | — | — |
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-9567425-B2 | Periodic structured organic films | XEROX CORPORATION (US) | 2017-02-14 | — | — | US | disclosed |