⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28296474 | 0.73 | — | — | |
| SCHEMBL31062661 | 0.73 | — | — | |
| SCHEMBL759355 | 0.65 | — | — | |
| SCHEMBL19987661 | 0.62 | — | — | |
| SCHEMBL888106 | 0.62 | — | — | |
| SCHEMBL10625659 | 0.62 | — | — | |
| SCHEMBL1614702 | 0.62 | — | — | |
| SCHEMBL1614701 | 0.62 | — | — | |
| SCHEMBL1614703 | 0.62 | — | — | |
| SCHEMBL2493299 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100119815-A1 | Preparation Method of Nanodiamond and Nanocarbon with the Same Atomic Ratio of Hydrogen and Halogen Among the Chemical Compound of Carbon, Hydrogen and Halogen by Dehydrohalogenation and Their Production | KIM JONG-HOON | 2010-05-13 | — | — | US | disclosed |
| US-4036830-A | Process for the recovery of pure ε-caprolactam from an aqueous solution thereof | STAMICARBON B.V. (NL) | 1977-07-19 | — | — | US | disclosed |