⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL117701 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL22578564 | 0.94 | — | — | |
| Alcohol SCHEMBL7005113 | 0.92 | ALDH1A1 (0.46) | — | |
| Ethylene Glycol SCHEMBL10727077 | 0.89 | ALDH1A1 (0.43) | — | |
| Alcohol SCHEMBL10609105 | 0.89 | ALDH1A1 (0.43) | — | |
| Isopropyl Alcohol SCHEMBL3252052 | 0.87 | ALDH1A1 (0.42) | — | |
| Acetic Acid SCHEMBL10829240 | 0.87 | ALDH1A1 (0.42) | — | |
| Propanol SCHEMBL14956784 | 0.87 | ALDH1A1 (0.42) | — | |
| Sulfuric Acid SCHEMBL28146467 | 0.85 | ALDH1A1 (0.40) | — | |
| Acetic Acid SCHEMBL27615631 | 0.83 | ALDH1A1 (0.39) | — |
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-7081328-B2 | Optical disk having super-resolution film | KABUSHIKI KAISHA TOSHIBA (JP) | 2006-07-25 | — | — | US | disclosed |
| US-20010038900-A1 | Optical disk having super-resolution film | KABUSHIKI KAISHA TOSHIBA (JP) | 2001-11-08 | — | — | US | disclosed |
| EP-1139161-A1 | Optical disk having super-resolution film | KABUSHIKI KAISHA TOSHIBA (JP) | 2001-10-04 | — | — | EP | disclosed |