⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14481306 | 0.83 | — | — | |
| SCHEMBL7648513 | 0.83 | — | — | |
| SCHEMBL27336630 | 0.82 | FPR2 (0.33) | — | |
| SCHEMBL6228024 | 0.80 | — | — | |
| SCHEMBL2017647 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL27337829 | 0.79 | — | — | |
| SCHEMBL29045303 | 0.77 | — | — | |
| SCHEMBL28729455 | 0.77 | — | — | |
| SCHEMBL19413615 | 0.77 | — | — | |
| SCHEMBL2141755 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0512777-B1 | Purification of propylene oxide by liquid extraction | TEXACO CHEMICAL (US) | 1994-11-02 | — | — | EP | claimed |
| EP-0002522-A1 | Process for polymerizing butene-1 | PHILLIPS PETROLEUM COMPANY (US) | 1979-06-27 | — | — | EP | claimed |
| EP-1057803-B1 | Process for producing an alcohol or an aldehyde | KYOWA YUKA KK (JP) | 2004-01-21 | — | — | EP | disclosed |
| US-6365783-B1 | REACTING MONOOLEFINS WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF COBALT CARBONYL CATALYST | KYOWA YUKA CO., LTD. (JP) | 2002-04-02 | — | — | US | disclosed |
| EP-1057803-A1 | Process for producing an alcohol or an aldehyde | Kyowa Yuka Co., Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |