⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28292758 | 0.83 | CA12 (0.35) | — | |
| Benzene SCHEMBL28238324 | 0.82 | KCNH2 (0.32) | — | |
| SCHEMBL480140 | 0.77 | NQO1 (0.44) | — | |
| SCHEMBL19431463 | 0.70 | POLB (0.35) | — | |
| SCHEMBL11392747 | 0.70 | TP53 (0.46) | — | |
| SCHEMBL27501516 | 0.70 | ACHE (0.41) | — | |
| SCHEMBL7069976 | 0.69 | POLB (0.40) | — | |
| SCHEMBL20239672 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL27571612 | 0.65 | LMNA (0.42) | — | |
| Hydrochloric Acid SCHEMBL29135193 | 0.64 | — | — |
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-109621977-A | A kind of magnetism carbonaceous solid acid catalyst and preparation method thereof and preparing the application in levulinate | 陕西科技大学 | 2019-04-16 | — | — | CN | disclosed |