⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27944 | 1.00 | — | — | |
| Water SCHEMBL8946287 | 0.94 | — | — | |
| Trichloromonofluoromethane SCHEMBL9437857 | 0.94 | TSHR (0.50) | — | |
| Fluoride SCHEMBL8853743 | 0.94 | — | — | |
| Dichlorodifluoromethane SCHEMBL10879241 | 0.94 | TSHR (0.50) | — | |
| SCHEMBL29006604 | 0.89 | TSHR (0.46) | — | |
| Dichlorotetrafluoroethane SCHEMBL9721366 | 0.89 | TSHR (0.46) | — | |
| Methyl Alcohol SCHEMBL9751396 | 0.89 | — | — | |
| SCHEMBL1039462 | 0.88 | — | — | |
| SCHEMBL3104899 | 0.88 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744678-A | NICKEL COMPOUND, ORGANOPHOSPHORUS COMPOUND, ORGANOALUMINUM COMPOUND, CARBON-HALOGEN COMPOUNDS; CATALYST SELECTIVITY | NIPPON OIL CO., LTD. (JP) | 1998-04-28 | — | — | US | disclosed |
| EP-0758563-A1 | OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT | NIPPON OIL COMPANY, LTD. (JP) | 1997-02-19 | — | — | EP | disclosed |
| US-5556821-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1996-09-17 | — | — | US | disclosed |
| EP-0587440-A2 | Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same | NIPPON OIL COMPANY, LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |
| EP-0001623-B1 | THIOCYANOMETHYL ESTERS OF ARYLTHIOCARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM | BAYER AG (DE) | 1980-09-03 | — | — | EP | disclosed |
| US-4198428-A | PESTICIDES, MICROBIOCIDES, MOLLUSCOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-04-15 | — | — | US | disclosed |
| EP-0001623-A1 | Thiocyanomethyl esters of arylthiocarboxylic acids, process for their preparation their use as pesticides and compositions containing them | BAYER AG (DE) | 1979-05-02 | — | — | EP | disclosed |