⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4060011 | 1.00 | — | — | |
| SCHEMBL372325 | 0.76 | — | — | |
| SCHEMBL372324 | 0.76 | — | — | |
| SCHEMBL16668963 | 0.69 | TRPA1 (0.32) | — | |
| SCHEMBL20549869 | 0.67 | — | — | |
| SCHEMBL20549870 | 0.67 | — | — | |
| SCHEMBL3886042 | 0.66 | — | — | |
| SCHEMBL9025457 | 0.66 | — | — | |
| SCHEMBL16669187 | 0.66 | TRPA1 (0.36) | — | |
| SCHEMBL16669350 | 0.65 | TRPA1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110283078-A | Polysubstituted 1, 4-diene compound and preparation method thereof | 南京工业大学 | 2019-09-27 | — | — | CN | claimed |
| CN-111825679-A | Novel spiro-pyrrole [2, 1-b ] quinazolinone derivative and preparation method and application thereof | 广西师范大学 | 2020-10-27 | — | — | CN | disclosed |
| CN-110283078-A | Polysubstituted 1, 4-diene compound and preparation method thereof | 南京工业大学 | 2019-09-27 | — | — | CN | disclosed |
| CN-110036008-A | Compound, device and application thereof | 西吉隆医疗股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| US-7572928-B2 | Fluorination process | ISIS INNOVATION LIMITED (GB) | 2009-08-11 | — | — | US | disclosed |
| US-20070142632-A1 | Fluorination process | ISIS INNOVATION LIMITED (GB) | 2007-06-21 | — | — | US | disclosed |