⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27866037 | 0.85 | GAA (0.46) | — | |
| SCHEMBL31264254 | 0.83 | GAA (0.45) | — | |
| SCHEMBL7656664 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL9765342 | 0.78 | GAA (0.52) | — | |
| SCHEMBL28588959 | 0.78 | — | — | |
| SCHEMBL896820 | 0.78 | — | — | |
| SCHEMBL15201198 | 0.78 | GAA (0.52) | — | |
| SCHEMBL9867939 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL110028 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27491583 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116332866-A | Preparation method of 2,2' -bis (2-oxazoline) | 浙江大学 | 2023-06-27 | — | — | CN | claimed |
| CN-116332866-A | Preparation method of 2,2' -bis (2-oxazoline) | 浙江大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-116332866-A | Preparation method of 2,2' -bis (2-oxazoline) | 浙江大学 | 2023-06-27 | — | — | CN | disclosed |
| US-6420354-B1 | Sodium channel drugs and uses | ADVANCED MEDICINE, INC. | 2002-07-16 | — | — | US | disclosed |