⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31585778 | 0.97 | — | — | |
| SCHEMBL278088 | 0.62 | — | — | |
| SCHEMBL8646647 | 0.62 | — | — | |
| SCHEMBL2398417 | 0.62 | — | — | |
| SCHEMBL8405185 | 0.62 | — | — | |
| SCHEMBL951408 | 0.62 | — | — | |
| SCHEMBL9296018 | 0.62 | — | — | |
| SCHEMBL809459 | 0.62 | — | — | |
| SCHEMBL8515895 | 0.62 | — | — | |
| SCHEMBL155349 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113631253-A | Explosive composition, method for producing same, and method for producing heteroatom-doped nanodiamond | 株式会社大赛璐 | 2021-11-09 | — | — | CN | disclosed |
| CN-113631252-A | Method for producing and purifying carbon group element-doped nanodiamond | 株式会社大赛璐 | 2021-11-09 | — | — | CN | disclosed |
| CN-113631512-A | Nano-diamond doped with heteroatom | 株式会社大赛璐 | 2021-11-09 | — | — | CN | disclosed |
| WO-2020195998-A9 | EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND | 株式会社ダイセル | 2020-12-03 | — | — | WO | disclosed |
| WO-2020195998-A1 | EXPLOSIVE COMPOSITION AND METHOD FOR MANUFACTURING SAME, AND METHOD FOR MANUFACTURING HETEROATOM-DOPED NANODIAMOND | 株式会社ダイセル | 2020-10-01 | — | — | WO | disclosed |
| US-20020037967-A1 | Process for producing blends of syndiotactic 1,2-polybutadiene and rubbery elastomers with a chromium-based catalyst system | BRIDGESTONE CORPORATION (JP) | 2002-03-28 | — | — | US | disclosed |