⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27746107 | 0.81 | — | — | |
| SCHEMBL27948237 | 0.81 | — | — | |
| SCHEMBL195839 | 0.76 | — | — | |
| SCHEMBL27999035 | 0.70 | HCAR2 (0.33) | — | |
| SCHEMBL5708107 | 0.70 | — | — | |
| SCHEMBL3887815 | 0.69 | — | — | |
| SCHEMBL28046159 | 0.68 | HCAR2 (0.32) | — | |
| SCHEMBL20636870 | 0.67 | — | — | |
| SCHEMBL28898397 | 0.67 | CHRM1 (0.36) | — | |
| SCHEMBL1278997 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105884660-A | Synthesis method of aliphatic chain monoureido or diureido functional monomer molecule | 中国科学院新疆理化技术研究所 | 2016-08-24 | — | — | CN | disclosed |