⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL39500 | 0.86 | — | — | |
| SCHEMBL29037533 | 0.84 | — | — | |
| Ethane SCHEMBL28759109 | 0.84 | — | — | |
| Hno SCHEMBL28760429 | 0.80 | — | — | |
| SCHEMBL29013811 | 0.80 | — | — | |
| SCHEMBL76674 | 0.75 | GAA (0.39) | — | |
| Succinic Acid SCHEMBL12506488 | 0.73 | APEX1 (0.33) | — | |
| Water SCHEMBL11620837 | 0.73 | GAA (0.37) | — | |
| Hydrochloric Acid SCHEMBL989098 | 0.73 | GAA (0.37) | — | |
| SCHEMBL28381054 | 0.71 | GAA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117779235-A | Sweat stain-resistant and color-change-resistant fiber material and preparation method thereof | 江苏垶恒复合材料有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-117779235-A | Sweat stain-resistant and color-change-resistant fiber material and preparation method thereof | 江苏垶恒复合材料有限公司 | 2024-03-29 | — | — | CN | disclosed |