⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL344814 | 0.94 | MEN1 (0.75) | — | |
| SCHEMBL4341117 | 0.88 | MEN1 (0.67) | — | |
| SCHEMBL8314243 | 0.88 | MEN1 (0.67) | — | |
| SCHEMBL8853939 | 0.88 | MEN1 (0.67) | — | |
| SCHEMBL585780 | 0.88 | MEN1 (0.67) | — | |
| SCHEMBL2564287 | 0.88 | — | — | |
| Water SCHEMBL22772661 | 0.88 | MEN1 (0.67) | — | |
| SCHEMBL15756541 | 0.88 | — | — | |
| SCHEMBL8389259 | 0.88 | MEN1 (0.67) | — | |
| SCHEMBL9814453 | 0.88 | MEN1 (0.67) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7087551-B2 | Catalyst for use in catalytic oxidation or ammoxidation of propane or isobutane in the gaseous phase | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2006-08-08 | — | — | US | disclosed |
| US-6610629-B2 | Process for producing an oxide catalyst for oxidation or ammoxidation | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2003-08-26 | — | — | US | disclosed |
| CN-1419473-A | Catalyst for vapor-phase catalytic oxidation or vapor-phase catalytic ammoxidation of propane or isobutane | ASAHI CHEMICAL IND (JP) | 2003-05-21 | — | — | CN | disclosed |
| US-20030088118-A1 | Catalyst for use in catalytic oxidation or ammoxidation of propane or isobutane in the gaseous phase | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2003-05-08 | — | — | US | disclosed |
| US-6514902-B1 | Method for producing an oxide catalyst for use in producing acrylonitrile or methacrylonitrile from propane or isobutane | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 2003-02-04 | — | — | US | disclosed |