⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4800652 | 0.78 | FFAR3 (0.31) | — | |
| SCHEMBL572093 | 0.74 | — | — | |
| SCHEMBL28743535 | 0.72 | CYP2C19 (0.32) | — | |
| SCHEMBL15756759 | 0.66 | CPN1 (0.31) | — | |
| SCHEMBL9358435 | 0.65 | — | — | |
| SCHEMBL3310180 | 0.65 | — | — | |
| SCHEMBL20186070 | 0.65 | DPP4 (0.34) | — | |
| SCHEMBL2041523 | 0.65 | DPP4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL25356046 | 0.63 | — | — | |
| SCHEMBL3980312 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011000855-A1 | 2-CARBOXAMIDE CYCLOAMINO UREAS USEFUL AS PI3K INHIBITORS | NOVARTIS AG (CH) | 2011-01-06 | — | — | WO | claimed |