⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1464408 | 0.64 | — | — | |
| SCHEMBL20577619 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL27279824 | 0.62 | — | — | |
| SCHEMBL28742567 | 0.62 | — | — | |
| SCHEMBL1934225 | 0.59 | — | — | |
| SCHEMBL20184140 | 0.59 | — | — | |
| SCHEMBL5376674 | 0.59 | — | — | |
| SCHEMBL5191432 | 0.59 | — | — | |
| SCHEMBL30426034 | 0.57 | — | — | |
| SCHEMBL28423288 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114787288-B | Colorant for heat transfer fluid and composition containing same | KD精细化工有限公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-103483263-A | Arylpyrrol-2-yl cyanoethylamino compounds, process for their preparation and their use | MERIAL LTD | 2014-01-01 | — | — | CN | disclosed |
| CN-101743230-B | Arylpyrrol-2-yl cyanoethylamino compounds, process for their preparation and their use | MERIAL LTD | 2013-06-05 | — | — | CN | disclosed |