⚠ 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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27988754 | 1.00 | — | — | |
| Phosphine SCHEMBL18919825 | 1.00 | — | — | |
| Phosphine SCHEMBL26646546 | 1.00 | — | — | |
| Phosphine SCHEMBL17135817 | 1.00 | — | — | |
| Phosphine SCHEMBL3339962 | 1.00 | — | — | |
| Phosphine SCHEMBL28310796 | 1.00 | — | — | |
| Phosphine SCHEMBL3365194 | 1.00 | — | — | |
| Phosphine SCHEMBL3085314 | 1.00 | — | — | |
| Phosphine SCHEMBL80969 | 1.00 | — | — | |
| Phosphine SCHEMBL16175816 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230295813-A1 | AMMONIA PRODUCTION METHOD AND AMMONIA PRODUCTION APPARATUS | NISSAN CHEMICAL CORPORATION (JP) | 2023-09-21 | — | — | US | disclosed |
| 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 |