⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5875157 | 0.82 | — | — | |
| SCHEMBL7211813 | 0.81 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL9652925 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL175986 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL936386 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL1505860 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL5875138 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL1968073 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL5874277 | 0.76 | KMT2A (0.30) | — | |
| SCHEMBL5874405 | 0.76 | TSHR (0.32) | — |
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 |