⚠ 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 | |
|---|---|---|---|---|
| Chloroacetic Acid SCHEMBL11685748 | 0.88 | TSHR (0.67) | — | |
| Chloroacetic Acid SCHEMBL27370382 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL11154843 | 0.85 | TSHR (0.62) | — | |
| Chloroacetic Acid SCHEMBL28882105 | 0.83 | ALDH1A1 (0.53) | — | |
| Lactic Acid SCHEMBL28965415 | 0.82 | TP53 (0.65) | — | |
| Chloroacetic Acid SCHEMBL3654223 | 0.81 | — | — | |
| Chloroacetic Acid SCHEMBL5875167 | 0.81 | — | — | |
| Propylene Glycol SCHEMBL11686126 | 0.80 | TSHR (0.56) | — | |
| Propylene Glycol SCHEMBL28679850 | 0.80 | TSHR (0.56) | — | |
| Valine SCHEMBL5697736 | 0.79 | SLC7A5 (0.71) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |