⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL95992 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL28328604 | 0.97 | ALDH1A1 (0.57) | — | |
| Fluoride SCHEMBL945714 | 0.97 | ALDH1A1 (0.57) | — | |
| Ethylene SCHEMBL28310274 | 0.95 | ALDH1A1 (0.55) | — | |
| Dimethylamine SCHEMBL5176483 | 0.92 | ALDH1A1 (0.59) | — | |
| Methylphenylsulfide SCHEMBL29061319 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL6594385 | 0.90 | ALDH1A1 (0.50) | — | |
| SCHEMBL10873673 | 0.90 | ALDH1A1 (0.50) | — | |
| Hydroquinone SCHEMBL27639375 | 0.88 | ALDH1A1 (0.48) | — | |
| SCHEMBL27400461 | 0.86 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0928816-B1 | Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof | YAMAMOTO CHEMICALS INC (JP) | 2002-03-06 | — | — | EP | disclosed |
| US-6093832-A | NEAR INFRARED RAY ABSORBING MATERIAL OR A LIGHT-HEAT CONVERSION MATERIAL | YAMAMOTO CHEMICALS, INC. (JP) | 2000-07-25 | — | — | US | disclosed |
| US-5973140-A | Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof | YAMAMOTO CHEMICALS, INC (JP) | 1999-10-26 | — | — | US | disclosed |