⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL31700081 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1162941 | 0.75 | — | — | |
| SCHEMBL2009605 | 0.72 | — | — | |
| SCHEMBL29454756 | 0.68 | — | — | |
| SCHEMBL8917855 | 0.62 | — | — | |
| SCHEMBL30849095 | 0.60 | LMNA (0.32) | — | |
| SCHEMBL1042812 | 0.56 | — | — | |
| Bicarbonate SCHEMBL9667185 | 0.55 | — | — | |
| Bicarbonate SCHEMBL22733761 | 0.55 | CA1 (0.50) | — | |
| Formamide SCHEMBL29022526 | 0.54 | — | — |
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-101468988-A | Piperazine derivative, preparation thereof and use thereof in medicine | SHANGHAI HENGRUI PHARM CO LTD (CN) | 2009-07-01 | — | — | CN | disclosed |