⚠ 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 SCHEMBL9856939 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL1331987 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL19089 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL5309413 | 0.88 | TSHR (1.00) | — | |
| Chloroacetic Acid SCHEMBL1330649 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL1330914 | 0.88 | — | — | |
| Chloroacetic Acid SCHEMBL5874593 | 0.86 | — | — | |
| Chloroacetic Acid SCHEMBL5237087 | 0.86 | — | — | |
| Chloroacetic Acid SCHEMBL6569438 | 0.85 | — | — | |
| Chloroacetic Acid SCHEMBL22493122 | 0.85 | — | — |
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 |