⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11265970 | 1.00 | — | — | |
| Maleic Acid SCHEMBL2046432 | 0.74 | TSHR (1.00) | — | |
| Fumaric Acid SCHEMBL615 | 0.74 | — | — | |
| Fumaric Acid SCHEMBL623596 | 0.74 | TSHR (1.00) | — | |
| Maleic Acid SCHEMBL20487516 | 0.74 | TSHR (1.00) | — | |
| Maleic Acid SCHEMBL2046430 | 0.74 | TSHR (1.00) | — | |
| Fumaric Acid SCHEMBL2046433 | 0.74 | TSHR (1.00) | — | |
| Fumaric Acid SCHEMBL3998225 | 0.74 | — | — | |
| Maleic Acid SCHEMBL613 | 0.74 | — | — | |
| Fumaric Acid SCHEMBL6875 | 0.74 | TSHR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0047977-A2 | Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their use | CIBA-GEIGY AG (CH) | 1982-03-24 | — | — | EP | disclosed |