⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14054567 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL14291729 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL18537 | 0.77 | — | — | |
| SCHEMBL7628529 | 0.75 | — | — | |
| SCHEMBL4735372 | 0.74 | — | — | |
| SCHEMBL8607238 | 0.74 | — | — | |
| SCHEMBL16922257 | 0.71 | — | — | |
| SCHEMBL7762648 | 0.70 | — | — | |
| Methylamine SCHEMBL28111167 | 0.70 | TSHR (0.48) | — | |
| SCHEMBL7777802 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7138549-B2 | Electrooptic compounds and methods for making | BATTELLE MEMORIAL INSTITUTE (US) | 2006-11-21 | — | — | US | disclosed |
| US-20050159623-A1 | Electrooptic compounds and methods for making | MCGINNISS VINCENT D (US) | 2005-07-21 | — | — | US | disclosed |
| US-6610219-B2 | Including polymer systems and electrooptical chromophores, wherein the Polymer are thermoplastic and/or thermosetting polymers and are blened or copolymerized with electropotical chromophores | BATTELLE MEMORIAL INSTITUTE | 2003-08-26 | — | — | US | disclosed |