⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21437103 | 0.87 | — | — | |
| Methacrylic Acid SCHEMBL11900544 | 0.85 | TDP1 (0.44) | — | |
| Acetic Acid SCHEMBL743877 | 0.83 | FFAR3 (0.58) | — | |
| Bicarbonate SCHEMBL11155878 | 0.82 | FFAR3 (0.55) | — | |
| Acetic Acid SCHEMBL21175529 | 0.82 | — | — | |
| Bicarbonate SCHEMBL319706 | 0.82 | — | — | |
| Acetic Acid SCHEMBL11879749 | 0.82 | FFAR3 (0.70) | — | |
| Bicarbonate SCHEMBL29835987 | 0.82 | FFAR3 (0.55) | — | |
| Acetic Acid SCHEMBL10394213 | 0.82 | FFAR3 (0.70) | — | |
| Bicarbonate SCHEMBL28731903 | 0.80 | — | — |
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-20040030093-A1 | Metal catalyst for ring-opening polymerization of heterocyclic compound | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2004-02-12 | — | — | US | disclosed |