⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10780041 | 0.73 | GABRP (0.31) | — | |
| SCHEMBL7757027 | 0.72 | — | — | |
| SCHEMBL8672288 | 0.63 | — | — | |
| Piperazine SCHEMBL28233344 | 0.61 | TSHR (0.65) | — | |
| SCHEMBL10477877 | 0.61 | LMNA (0.30) | — | |
| Acetic Acid SCHEMBL23548939 | 0.60 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL6315264 | 0.60 | — | — | |
| Acetic Acid SCHEMBL7456705 | 0.60 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL998512 | 0.60 | FFAR3 (0.58) | — | |
| Bicarbonate SCHEMBL9715355 | 0.59 | — | — |
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-104662018-A | Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof | ADVINUS THERAPEUTICS LTD | 2015-05-27 | — | — | CN | claimed |