⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7207564 | 0.80 | — | — | |
| SCHEMBL3478490 | 0.78 | — | — | |
| SCHEMBL12987935 | 0.77 | CHRNB2 (0.39) | — | |
| SCHEMBL254842 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL514363 | 0.76 | — | — | |
| SCHEMBL27639548 | 0.76 | — | — | |
| SCHEMBL18125070 | 0.74 | CHRNB2 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL29011843 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL7360558 | 0.73 | CHRNB2 (0.37) | — | |
| SCHEMBL7905771 | 0.73 | CA14 (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608436-B | Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds | 斯法尔制药私人有限公司 | 2022-10-11 | — | — | CN | disclosed |