⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28035229 | 0.96 | LMNA (0.50) | — | |
| Acetone SCHEMBL28214903 | 0.96 | LMNA (0.50) | — | |
| Acetone SCHEMBL28132029 | 0.96 | LMNA (0.50) | — | |
| Acetone SCHEMBL8887669 | 0.95 | — | — | |
| Acetone SCHEMBL28869975 | 0.92 | LMNA (0.46) | — | |
| Acetone SCHEMBL27789756 | 0.91 | — | — | |
| Acetic Acid SCHEMBL27573943 | 0.87 | — | — | |
| Acetone SCHEMBL28235316 | 0.87 | — | — | |
| Acetone SCHEMBL9472113 | 0.86 | LMNA (0.40) | — | |
| Acetone SCHEMBL27477332 | 0.86 | LMNA (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118330122-A | Thin-layer detection method of cortex lycii radicis medicinal material or prescription granule and application of thin-layer detection method in counterfeit identification | 广东一方制药有限公司 | 2024-07-12 | — | — | CN | disclosed |
| US-4904675-A | Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines | ZYMA SA (CH) | 1990-02-27 | — | — | US | disclosed |
| EP-0278908-A2 | Heterocyclic compounds | Zyma SA (CH) | 1988-08-17 | — | — | EP | disclosed |