⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13116715 | 0.81 | — | — | |
| SCHEMBL4474871 | 0.78 | GNAI3 (0.30) | — | |
| SCHEMBL4474869 | 0.78 | GNAI3 (0.30) | — | |
| Hydrochloric Acid SCHEMBL4476787 | 0.77 | GNAI3 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4476786 | 0.77 | GNAI3 (0.33) | — | |
| SCHEMBL28210695 | 0.74 | — | — | |
| SCHEMBL28210696 | 0.74 | — | — | |
| SCHEMBL28210672 | 0.73 | — | — | |
| SCHEMBL28210069 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL9388749 | 0.72 | GABRP (0.31) | — |
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 |