⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28440278 | 0.85 | — | — | |
| SCHEMBL10714398 | 0.81 | — | — | |
| SCHEMBL15993915 | 0.79 | — | — | |
| SCHEMBL751842 | 0.75 | — | — | |
| SCHEMBL30995902 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL987302 | 0.75 | — | — | |
| SCHEMBL1331737 | 0.75 | — | — | |
| SCHEMBL116271 | 0.75 | — | — | |
| Benzene SCHEMBL1582581 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL11002111 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116256445-A | Synchronous quantitative analysis method for disinfection byproducts of high-toxicity aliphatic series in drinking water | 苏州大学 | 2023-06-13 | — | — | CN | claimed |
| CN-111380981-A | Detection method of bromoacetamide | 同济大学 | 2020-07-07 | — | — | CN | claimed |
| US-20240083885-A1 | COMPOSITIONS AND METHODS FOR INHIBITING M PRO PROTEASE ACTIVITY AND FOR PREVENTING AND TREATING SARS-COV-2 INFECTION | NATIONAL INSTITUTES OF HEALTH | 2024-03-14 | — | — | US | disclosed |
| CN-116256445-A | Synchronous quantitative analysis method for disinfection byproducts of high-toxicity aliphatic series in drinking water | 苏州大学 | 2023-06-13 | — | — | CN | disclosed |
| CN-111380981-A | Detection method of bromoacetamide | 同济大学 | 2020-07-07 | — | — | CN | disclosed |