⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31139280 | 0.78 | — | — | |
| SCHEMBL376982 | 0.78 | — | — | |
| SCHEMBL29015002 | 0.73 | — | — | |
| SCHEMBL31281258 | 0.69 | — | — | |
| SCHEMBL31490620 | 0.67 | — | — | |
| SCHEMBL31281679 | 0.65 | — | — | |
| SCHEMBL18648500 | 0.61 | — | — | |
| SCHEMBL3162557 | 0.61 | — | — | |
| SCHEMBL30496998 | 0.61 | ACE2 (0.30) | — | |
| SCHEMBL28389685 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107829169-A | A kind of preparation method of high-ratio surface hollow tubular carbon nano-fiber | 西北工业大学 | 2018-03-23 | — | — | CN | claimed |
| CN-107723850-A | A kind of preparation method of high-ratio surface magnetic carbon nano-fiber | 西北工业大学 | 2018-02-23 | — | — | CN | claimed |
| CN-107829169-A | A kind of preparation method of high-ratio surface hollow tubular carbon nano-fiber | 西北工业大学 | 2018-03-23 | — | — | CN | disclosed |
| CN-107723850-A | A kind of preparation method of high-ratio surface magnetic carbon nano-fiber | 西北工业大学 | 2018-02-23 | — | — | CN | disclosed |