⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29465872 | 0.97 | — | — | |
| SCHEMBL5306053 | 0.97 | CA1 (1.00) | — | |
| SCHEMBL265674 | 0.97 | — | — | |
| SCHEMBL265331 | 0.97 | — | — | |
| SCHEMBL37255 | 0.97 | — | — | |
| Water SCHEMBL28652816 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL23272001 | 0.92 | — | — | |
| Benzene SCHEMBL28655502 | 0.90 | CA1 (0.86) | — | |
| Cyclohexane SCHEMBL29120104 | 0.90 | CA1 (0.86) | — | |
| Dimethylamine SCHEMBL4684858 | 0.90 | CA1 (0.86) | — |
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-115181018-A | Method for directionally synthesizing valeric acid by utilizing gamma-valerolactone | 武汉大学 | 2022-10-14 | — | — | CN | disclosed |