⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4458 | 0.96 | — | — | |
| Water SCHEMBL6705186 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL360708 | 0.93 | — | — | |
| Water SCHEMBL4239659 | 0.93 | HSP90AA1 (0.93) | — | |
| SCHEMBL854885 | 0.93 | — | — | |
| SCHEMBL27469274 | 0.93 | HSP90AA1 (0.93) | — | |
| Hydrochloric Acid SCHEMBL8681532 | 0.93 | — | — | |
| Formaldehyde SCHEMBL3745731 | 0.87 | — | — | |
| Boric Acid SCHEMBL8843854 | 0.84 | HSP90AA1 (0.77) | — | |
| SCHEMBL578041 | 0.84 | HSP90AA1 (0.77) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608637-B | Antibacterial high polymer material and preparation method and application thereof | 北京化工大学 | 2020-12-11 | — | — | CN | disclosed |
| CN-107930412-B | Preparation method of acid-resistant poly (amide-triazine-amine) nanofiltration composite membrane | 浙江大学 | 2020-01-14 | — | — | CN | disclosed |
| CN-107930412-B | Preparation method of acid-resistant poly (amide-triazine-amine) nanofiltration composite membrane | 浙江大学 | 2020-01-14 | — | — | CN | disclosed |
| CN-109608637-A | A kind of antimicrobial macromolecule material and the preparation method and application thereof | 北京化工大学 | 2019-04-12 | — | — | CN | disclosed |
| CN-107930412-A | A kind of anti-acid gathers（Acid amides atrazin）The preparation method of Nano filtering composite membrane | 浙江大学 | 2018-04-20 | — | — | CN | disclosed |
| CN-107930412-A | A kind of anti-acid gathers（Acid amides atrazin）The preparation method of Nano filtering composite membrane | 浙江大学 | 2018-04-20 | — | — | CN | disclosed |