⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL132037 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL519595 | 0.92 | — | — | |
| Bromide SCHEMBL460261 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL10786924 | 0.92 | ALDH1A1 (0.50) | — | |
| Iodide SCHEMBL19205926 | 0.92 | — | — | |
| SCHEMBL10425474 | 0.82 | TSHR (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL5548850 | 0.82 | — | — | |
| Trichloroethylene SCHEMBL10768570 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL875430 | 0.79 | — | — | |
| SCHEMBL14302146 | 0.79 | — | — |
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-2548869-A1 | Process for the Synthesis of N-substituted Cyclic Alkylene Ureas | Cytec Technology Corp. (US) | 2013-01-23 | — | — | EP | claimed |