⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10940969 | 0.75 | — | — | |
| SCHEMBL11159642 | 0.75 | — | — | |
| SCHEMBL4429855 | 0.73 | — | — | |
| SCHEMBL11246769 | 0.73 | — | — | |
| SCHEMBL11335034 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL22326984 | 0.71 | — | — | |
| SCHEMBL220417 | 0.69 | — | — | |
| SCHEMBL7545016 | 0.69 | — | — | |
| SCHEMBL11167927 | 0.67 | — | — | |
| SCHEMBL5613441 | 0.65 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4271325-A | DEHYDROHALOGENATION, STANNIC CHLORIDE CATALYST | STAUFFER CHEMICAL COMPANY (US) | 1981-06-02 | — | — | US | claimed |
| US-4070404-A | Process to 1,1-dihalo-4-methyl-1,3-pentadienes, pyrethroid insecticide intermediates | FMC CORPORATION (US) | 1978-01-24 | — | — | US | claimed |
| JP-53084904-A | — | — | None | — | — | JP | disclosed |
| EP-0022607-B1 | PROCESS FOR THE PREPARATION OF HALOGENATED HYDROCARBONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-01-12 | — | — | EP | disclosed |
| US-4299837-A | IN ANIMALS | MONTEDISON S.P.A. (IT) | 1981-11-10 | — | — | US | disclosed |
| US-4271325-A | DEHYDROHALOGENATION, STANNIC CHLORIDE CATALYST | STAUFFER CHEMICAL COMPANY (US) | 1981-06-02 | — | — | US | disclosed |
| EP-0022607-A1 | Process for the preparation of halogenated hydrocarbons | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-01-21 | — | — | EP | disclosed |
| JP-S5384904-A | PREPARATION OF 1,1-DICHLORO-4-METHYL-1,3-PENTADIENE | SUMITOMO CHEM CO LTD | 1978-07-26 | — | — | JP | 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 |