⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL72935 | 1.00 | — | — | |
| SCHEMBL11586491 | 0.87 | — | — | |
| Water SCHEMBL31011758 | 0.87 | — | — | |
| SCHEMBL5878685 | 0.67 | — | — | |
| SCHEMBL2481392 | 0.67 | — | — | |
| SCHEMBL2892165 | 0.67 | — | — | |
| Silver SCHEMBL663456 | 0.67 | — | — | |
| SCHEMBL3316570 | 0.67 | — | — | |
| SCHEMBL10722473 | 0.67 | — | — | |
| SCHEMBL3896298 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118253310-A | Acetylene-carbon-containing four-fraction selective hydrogenation catalyst and preparation method thereof | 中国石油天然气股份有限公司 | 2024-06-28 | — | — | CN | claimed |
| US-20150076470-A1 | Luminescent Cyclometallated Iridium (III) Complexes Having Acetylide Ligands | UNIV SOUTHERN CALIFORNIA (US) | 2015-03-19 | — | — | US | disclosed |
| US-8822042-B2 | Luminescent cyclometallated iridium(III) complexes having acetylide ligands | THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2014-09-02 | — | — | US | disclosed |
| US-20120007061-A1 | Luminescent Cyclometallated Iridium(III) Complexes Having Acetylide Ligands | THE UNIVERSITY OF SOUTHERN CALIFORNIA | 2012-01-12 | — | — | US | disclosed |
| US-20090056802-A1 | Practical method and means for mechanosynthesis and assembly of precise nanostructures and materials including diamond, programmable systems for performing same; devices and systems produced thereby, and applications thereof | RABANI ELI MICHAEL | 2009-03-05 | — | — | US | disclosed |
| US-4650777-A | DEOXYGENATION WITH METAL ACETYLIDE | NEC CORPORATION (JP) | 1987-03-17 | — | — | US | disclosed |