⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4425087 | 0.73 | — | — | |
| SCHEMBL5699264 | 0.73 | — | — | |
| SCHEMBL11293687 | 0.71 | — | — | |
| SCHEMBL22917640 | 0.71 | — | — | |
| SCHEMBL322272 | 0.69 | — | — | |
| SCHEMBL27617077 | 0.69 | — | — | |
| SCHEMBL9002297 | 0.69 | — | — | |
| SCHEMBL10796543 | 0.69 | — | — | |
| SCHEMBL20901893 | 0.68 | — | — | |
| SCHEMBL23280419 | 0.67 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0022607-B1 | PROCESS FOR THE PREPARATION OF HALOGENATED HYDROCARBONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-01-12 | — | — | EP | disclosed |
| EP-0022607-A1 | Process for the preparation of halogenated hydrocarbons | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-01-21 | — | — | EP | disclosed |
| US-4070404-A | Process to 1,1-dihalo-4-methyl-1,3-pentadienes, pyrethroid insecticide intermediates | FMC CORPORATION (US) | 1978-01-24 | — | — | US | disclosed |