⚠ 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 SCHEMBL9110829 | 0.87 | — | — | |
| SCHEMBL5349619 | 0.87 | — | — | |
| SCHEMBL5349610 | 0.87 | — | — | |
| Phosphine SCHEMBL9585895 | 0.87 | — | — | |
| SCHEMBL17239373 | 0.75 | — | — | |
| Phosphine SCHEMBL10628146 | 0.71 | — | — | |
| Phosphine SCHEMBL31187486 | 0.71 | — | — | |
| Phosphine SCHEMBL252500 | 0.71 | — | — | |
| SCHEMBL539 | 0.71 | — | — | |
| Phosphine SCHEMBL28208035 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0419507-B1 | DRY EXHAUST GAS CONDITIONING | BRITISH OXYGEN CO LTD (GB) | 2000-07-19 | — | — | EP | disclosed |
| US-5417934-A | Dry exhaust gas conditioning | BOC LIMITED (GB) | 1995-05-23 | — | — | US | disclosed |