⚠ 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 | |
|---|---|---|---|---|
| Malonic Acid SCHEMBL1332554 | 0.95 | — | — | |
| Malonic Acid SCHEMBL1332405 | 0.95 | — | — | |
| Malonic Acid SCHEMBL336 | 0.95 | — | — | |
| Malonic Acid SCHEMBL3358611 | 0.95 | — | — | |
| Malonic Acid SCHEMBL1332587 | 0.95 | — | — | |
| Malonic Acid SCHEMBL28221810 | 0.95 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL23831 | 0.95 | LDHA (1.00) | — | |
| Malonic Acid SCHEMBL21815791 | 0.90 | — | — | |
| Malonic Acid SCHEMBL21878523 | 0.90 | — | — | |
| Malonic Acid SCHEMBL2475922 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5463086-A | Dissolving a crude lactide in a weak and strong solvent mixture then recrystallizing | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1995-10-31 | — | — | US | disclosed |