⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL9246294 | 0.76 | — | — | |
| Propane SCHEMBL10956924 | 0.76 | TSHR (0.43) | — | |
| Propane SCHEMBL1021 | 0.76 | — | — | |
| Propane SCHEMBL286506 | 0.76 | — | — | |
| Propane SCHEMBL9248656 | 0.76 | TSHR (0.43) | — | |
| Propane SCHEMBL8602888 | 0.71 | — | — | |
| Propane SCHEMBL5234522 | 0.71 | — | — | |
| Propane SCHEMBL5056319 | 0.71 | — | — | |
| Propane SCHEMBL5472245 | 0.71 | — | — | |
| Propane SCHEMBL3899207 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307428-B1 | AMELIORATION OF AMMONIA BREAKTHROUGH IN AN ALKANE AMMOXIDATION PROCESS | INEOS USA LLC (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1307428-A1 | AMELIORATION OF AMMONIA BREAKTHROUGH IN AN ALKANE AMMOXIDATION PROCESS | The Standard Oil Company (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2002012174-A1 | AMELIORATION OF AMMONIA BREAKTHROUGH IN AN ALKANE AMMOXIDATION PROCESS | THE STANDARD OIL COMPANY (US) | 2002-02-14 | — | — | WO | disclosed |
| US-6262290-B1 | SUPPLYING HYDROCARBON, AMMONIA AND OXYGEN TO FLUIDIZED BED CHEMICAL REACTORS | THE STANDARD OIL COMPANY | 2001-07-17 | — | — | US | disclosed |