⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28458627 | 0.96 | ALDH1A1 (0.39) | — | |
| SCHEMBL82509 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL29005715 | 0.92 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL28449833 | 0.89 | ALDH1A1 (0.39) | — | |
| SCHEMBL82932 | 0.88 | — | — | |
| Hypochlorous Acid SCHEMBL11409364 | 0.86 | ALDH1A1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL28912075 | 0.84 | CA12 (0.38) | — | |
| SCHEMBL10620115 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL28634377 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL4279899 | 0.81 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117355215-A | Antibacterial composition | 株式会社LG化学 | 2024-01-05 | — | — | CN | disclosed |
| CN-105693888-B | A kind of thioxanthone visible light initiator and preparation method containing acrylate or methacrylate of polymerizable type | 武汉大学 | 2017-08-25 | — | — | CN | disclosed |
| EP-0507145-B1 | Alkaline black-and-white developer for silver halide photographic material | EASTMAN KODAK CO (US) | 2000-06-21 | — | — | EP | disclosed |
| US-5478706-A | Improved sensitivity, silver blackness of image | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-12-26 | — | — | US | disclosed |
| EP-0507145-A1 | Alkaline black-and-white developer for silver halide photographic material | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-10-07 | — | — | EP | disclosed |