⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5934860 | 0.97 | — | — | |
| SCHEMBL28785946 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27755045 | 0.95 | — | — | |
| Cyclopropane SCHEMBL28269235 | 0.91 | NAAA (0.48) | — | |
| SCHEMBL27842111 | 0.87 | NAAA (0.45) | — | |
| SCHEMBL28519535 | 0.84 | NAAA (0.47) | — | |
| SCHEMBL26669487 | 0.84 | NAAA (0.47) | — | |
| Tromethamine SCHEMBL6327657 | 0.83 | NAAA (0.42) | — | |
| SCHEMBL3993449 | 0.83 | — | — | |
| Diethanolamine SCHEMBL28937380 | 0.82 | NAAA (0.41) | — |
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-106172476-A | A kind of recirculated water special sterilizing synergist | 威海翔宇环保科技股份有限公司 | 2016-12-07 | — | — | CN | disclosed |
| CN-101163556-A | Surface treatment | BASF AG (DE) | 2008-04-16 | — | — | CN | disclosed |