⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28909 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL28316218 | 0.94 | — | — | |
| SCHEMBL27986632 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL31432993 | 0.94 | — | — | |
| Acetic Acid SCHEMBL27982750 | 0.91 | ALDH1A1 (0.46) | — | |
| Methacrylic Acid SCHEMBL27642909 | 0.88 | ALDH1A1 (0.50) | — | |
| Carbamic Acid SCHEMBL28135902 | 0.88 | ACHE (0.39) | — | |
| SCHEMBL28876554 | 0.88 | — | — | |
| SCHEMBL28205310 | 0.88 | PEPD (0.39) | — | |
| Ethylene Glycol SCHEMBL28524425 | 0.86 | PEPD (0.37) | — |
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-105648776-A | Antibacterial and anti-ultraviolet finishing agent and method for preparing same | 吴江市林旺纺织厂 | 2016-06-08 | — | — | CN | claimed |
| CN-105648776-A | Antibacterial and anti-ultraviolet finishing agent and method for preparing same | 吴江市林旺纺织厂 | 2016-06-08 | — | — | CN | disclosed |