⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28210695 | 0.88 | — | — | |
| SCHEMBL28210696 | 0.76 | — | — | |
| SCHEMBL28210693 | 0.71 | — | — | |
| SCHEMBL28210069 | 0.71 | — | — | |
| SCHEMBL28210154 | 0.63 | — | — | |
| SCHEMBL28210672 | 0.63 | — | — | |
| SCHEMBL28210084 | 0.62 | SLC6A4 (0.44) | — | |
| Hydrochloric Acid SCHEMBL28210686 | 0.61 | — | — | |
| SCHEMBL31392761 | 0.57 | — | — | |
| SCHEMBL28210074 | 0.57 | — | — |
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-107922379-A | Substituted guanidine derivatives | 宇部兴产株式会社 | 2018-04-17 | — | — | CN | disclosed |