⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1647840 | 0.75 | — | — | |
| Urea SCHEMBL8436158 | 0.72 | LMNA (1.00) | — | |
| Urea SCHEMBL20641124 | 0.72 | LMNA (1.00) | — | |
| Urea SCHEMBL8560069 | 0.72 | LMNA (1.00) | — | |
| Urea C 13 SCHEMBL12476878 | 0.72 | — | — | |
| Urea SCHEMBL187990 | 0.72 | — | — | |
| Urea SCHEMBL8434002 | 0.72 | LMNA (1.00) | — | |
| Urea SCHEMBL7756359 | 0.72 | LMNA (1.00) | — | |
| Urea SCHEMBL411583 | 0.72 | — | — | |
| Urea SCHEMBL30692613 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113396126-B | N-heterocycle based reversible liquid organic systems, methods, and processes for loading and discharging hydrogen | 耶达研究与发展有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-113396126-A | N-heterocycle based reversible liquid organic systems, methods and processes for loading and discharging hydrogen | 耶达研究与发展有限公司 | 2021-09-14 | — | — | CN | disclosed |