⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38137 | 0.67 | — | — | |
| Lithium Ion SCHEMBL263443 | 0.67 | — | — | |
| SCHEMBL3316570 | 0.67 | — | — | |
| SCHEMBL3896298 | 0.67 | — | — | |
| SCHEMBL2892165 | 0.67 | — | — | |
| SCHEMBL7714931 | 0.67 | — | — | |
| SCHEMBL3896170 | 0.67 | — | — | |
| SCHEMBL2481392 | 0.67 | — | — | |
| SCHEMBL5878685 | 0.67 | — | — | |
| SCHEMBL163019 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7025945-B2 | Transition metal acetylide compound, nano-powder and method for producing a transition metal acetylide compound | INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCES (JP) | 2006-04-11 | — | — | US | claimed |
| US-20050171370-A1 | Transition metal acetylide compound, nano-powder and method for producing a transition metal acetylide compound | INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCE (JP) | 2005-08-04 | — | — | US | claimed |
| US-7025945-B2 | Transition metal acetylide compound, nano-powder and method for producing a transition metal acetylide compound | INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCES (JP) | 2006-04-11 | — | — | US | disclosed |
| US-20050171370-A1 | Transition metal acetylide compound, nano-powder and method for producing a transition metal acetylide compound | INTER-UNIVERSITY RESEARCH INSTITUTE CORPORATION NATIONAL INSTITUTES OF NATURAL SCIENCE (JP) | 2005-08-04 | — | — | US | disclosed |