⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11703522 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11491066 | 0.80 | — | — | |
| Ethylene SCHEMBL17700946 | 0.73 | — | — | |
| SCHEMBL11568806 | 0.55 | — | — | |
| SCHEMBL660912 | 0.55 | — | — | |
| SCHEMBL8759982 | 0.52 | — | — | |
| SCHEMBL541136 | 0.52 | — | — | |
| SCHEMBL2390209 | 0.52 | — | — | |
| SCHEMBL11734992 | 0.52 | — | — | |
| SCHEMBL25396888 | 0.45 | — | — |
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-9815694-B2 | Catalytic ammonia synthesis by transition metal molecular complexes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-11-14 | — | — | US | disclosed |
| US-20150104371-A1 | CATALYTIC AMMONIA SYNTHESIS BY TRANSITION METAL MOLECULAR COMPLEXES | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-04-16 | — | — | US | disclosed |