⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL978922 | 0.59 | — | — | |
| SCHEMBL9354655 | 0.52 | — | — | |
| SCHEMBL3100736 | 0.51 | CA1 (0.33) | — | |
| SCHEMBL10776105 | 0.49 | — | — | |
| Bicarbonate SCHEMBL4872620 | 0.43 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL29569190 | 0.43 | — | — | |
| Bicarbonate SCHEMBL16530046 | 0.43 | — | — | |
| Benzene SCHEMBL9860531 | 0.43 | CA1 (0.40) | — | |
| Benzene SCHEMBL4867143 | 0.43 | CA1 (0.40) | — | |
| Benzene SCHEMBL10763850 | 0.43 | CA1 (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-103857681-B | It is used as the new big ring of factor XI, plasma thromboplastin antecedent A inhibitor | 百时美施贵宝公司 | 2017-07-14 | — | — | CN | disclosed |
| CN-101065377-B | Imidazo[1,2-a]pyridine compounds, compositions, uses and methods related thereto | FERRER INT | 2011-07-27 | — | — | CN | disclosed |
| CN-101065377-A | Imidazo[1,2-a]pyridine compounds, compositions, uses and methods related thereto | FERRER INT (ES) | 2007-10-31 | — | — | CN | disclosed |