⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8585811 | 0.77 | — | — | |
| SCHEMBL1940538 | 0.77 | — | — | |
| SCHEMBL28856656 | 0.74 | — | — | |
| SCHEMBL19857078 | 0.72 | — | — | |
| SCHEMBL28101557 | 0.72 | — | — | |
| SCHEMBL22728604 | 0.72 | LDHA (0.42) | — | |
| SCHEMBL628753 | 0.72 | — | — | |
| SCHEMBL27811308 | 0.72 | — | — | |
| Malonic Acid SCHEMBL27278799 | 0.72 | LDHA (0.69) | — | |
| Malonic Acid SCHEMBL5672090 | 0.70 | LDHA (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3965168-A | CITRIC ACID INTERMEDIATE | ETHYL CORPORATION (US) | 1976-06-22 | — | — | US | disclosed |
| US-3960941-A | CHEMICAL INTERMEDIATE FOR CITRIC ACID | ETHYL CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |