⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29430412 | 0.97 | — | — | |
| SCHEMBL54892 | 0.97 | — | — | |
| SCHEMBL487341 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL3697995 | 0.95 | HRH1 (0.52) | — | |
| Ammonia Solution, Strong SCHEMBL1985306 | 0.95 | — | — | |
| Iodide SCHEMBL23406241 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL11412754 | 0.95 | HRH1 (0.52) | — | |
| Bromide SCHEMBL4952663 | 0.95 | — | — | |
| Benzene SCHEMBL11013308 | 0.95 | HRH1 (0.52) | — | |
| Fluoride SCHEMBL6702411 | 0.95 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1493194-B1 | MOLECULAR ELECTRONIC DEVICE USING METAL-METAL BONDED COMPLEXES | IBM (US) | 2011-08-10 | — | — | EP | disclosed |
| CN-1643708-B | Molecular electronic device using metal-metal bonded complexes | IBM | 2011-04-13 | — | — | CN | disclosed |
| CN-1643708-A | Molecular electronic device using metal-metal bonded complexes | IBM (US) | 2005-07-20 | — | — | CN | disclosed |
| EP-1493194-A2 | MOLECULAR ELECTRONIC DEVICE USING METAL-METAL BONDED COMPLEXES | International Business Machines Corporation (US) | 2005-01-05 | — | — | EP | disclosed |
| US-6646285-B1 | Alternating monolayers of complex and organic material capable of interacting with metal ions | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2003-11-11 | — | — | US | disclosed |
| US-20030203168-A1 | MOLECULAR ELECTRONIC DEVICE USING METAL-METAL BONDED COMPLEXES | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2003-10-30 | — | — | US | disclosed |
| WO-2003088372-A2 | MOLECULAR ELECTRONIC DEVICE USING METAL-METAL BONDED COMPLEXES | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2003-10-23 | — | — | WO | disclosed |