⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6108704 | 0.73 | — | — | |
| SCHEMBL10546990 | 0.69 | — | — | |
| SCHEMBL10507620 | 0.68 | — | — | |
| SCHEMBL10791830 | 0.68 | — | — | |
| SCHEMBL6097742 | 0.67 | NOS3 (0.33) | — | |
| SCHEMBL10703523 | 0.66 | TSHR (0.30) | — | |
| SCHEMBL11710611 | 0.65 | — | — | |
| SCHEMBL7585837 | 0.64 | LMNA (0.40) | — | |
| SCHEMBL9222821 | 0.63 | — | — | |
| SCHEMBL5551638 | 0.62 | MEN1 (0.40) | — |
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-5028721-A | Bis(functionally-substituted phenylene) semi-rigid crowns and process for making | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 1991-07-02 | — | — | US | disclosed |