⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL221717 | 0.60 | APLNR (0.41) | — | |
| SCHEMBL5246594 | 0.60 | APLNR (0.41) | — | |
| SCHEMBL11260869 | 0.60 | APLNR (0.41) | — | |
| SCHEMBL3385056 | 0.60 | APLNR (0.41) | — | |
| SCHEMBL4888774 | 0.60 | APLNR (0.41) | — | |
| Methane SCHEMBL3337389 | 0.58 | APLNR (0.39) | — | |
| Hydrochloric Acid SCHEMBL8617904 | 0.58 | APLNR (0.39) | — | |
| Acetic Acid SCHEMBL1023506 | 0.53 | — | — | |
| Acetic Acid SCHEMBL6363051 | 0.53 | — | — | |
| Acetic Acid SCHEMBL6363046 | 0.53 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1209154-A1 | Preparation of monofluoroalkenes | Aventis CropScience GmbH (DE) | 2002-05-29 | — | — | EP | claimed |
| WO-2002040459-A1 | PREPARATION OF MONOFLUOROALKENES | BAYER CROPSCIENCE GMBH (DE) | 2002-05-23 | — | — | WO | claimed |
| US-4388247-A | WITH ALKALI METAL TRIHALOACETATES IN POLAR APROTIC SOLVENTS | SHELL OIL COMPANY (US) | 1983-06-14 | — | — | US | claimed |
| US-4305890-A | INSECTICIDE PRECURSORS | SHELL OIL COMPANY (US) | 1981-12-15 | — | — | US | claimed |
| US-4285882-A | CHEMICAL INTERMEDIATES FOR INSECTICIDES | SHELL OIL COMPANY (US) | 1981-08-25 | — | — | US | claimed |
| EP-1209154-A1 | Preparation of monofluoroalkenes | Aventis CropScience GmbH (DE) | 2002-05-29 | — | — | EP | disclosed |
| WO-2002040459-A1 | PREPARATION OF MONOFLUOROALKENES | BAYER CROPSCIENCE GMBH (DE) | 2002-05-23 | — | — | WO | disclosed |
| US-4388247-A | WITH ALKALI METAL TRIHALOACETATES IN POLAR APROTIC SOLVENTS | SHELL OIL COMPANY (US) | 1983-06-14 | — | — | US | disclosed |
| US-4305890-A | INSECTICIDE PRECURSORS | SHELL OIL COMPANY (US) | 1981-12-15 | — | — | US | disclosed |
| US-4285882-A | CHEMICAL INTERMEDIATES FOR INSECTICIDES | SHELL OIL COMPANY (US) | 1981-08-25 | — | — | US | disclosed |