⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23703769 | 0.76 | — | — | |
| SCHEMBL14219150 | 0.74 | — | — | |
| SCHEMBL2229816 | 0.74 | — | — | |
| Fluoride SCHEMBL29210793 | 0.73 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL27886331 | 0.73 | TSHR (0.39) | — | |
| Bromide SCHEMBL27728857 | 0.73 | TSHR (0.39) | — | |
| Methane SCHEMBL27754597 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL16500087 | 0.73 | CA1 (0.33) | — | |
| Methylene Chloride SCHEMBL28228656 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL11831237 | 0.71 | TSHR (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7527746-B2 | Liquid crystal polyfunctional acrylate derivative and polymer thereof | CHISSO CORPORATION (JP) | 2009-05-05 | — | — | US | disclosed |
| US-7381350-B2 | Fluorene derivatives and polymers thereof | CHISSO CORPORATION (JP) | 2008-06-03 | — | — | US | disclosed |
| US-20060172090-A1 | Liquid crystal polyfunctional acrylate derivative and polymer thereof | JNC PETROCHEMICAL CORPORATION (JP) | 2006-08-03 | — | — | US | disclosed |
| US-20060006364-A1 | Fluorene derivatives and polymers thereof | CHISSO CORPORATION AND CHISSO PETROCHEMICAL CORPORATION | 2006-01-12 | — | — | US | disclosed |