⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL20522098 | 0.78 | — | — | |
| SCHEMBL19049 | 0.78 | — | — | |
| SCHEMBL16144920 | 0.78 | — | — | |
| SCHEMBL64958 | 0.78 | — | — | |
| SCHEMBL7602 | 0.78 | — | — | |
| SCHEMBL17035901 | 0.78 | — | — | |
| Dichlorodifluoromethane SCHEMBL4882123 | 0.76 | — | — | |
| SCHEMBL18341554 | 0.76 | — | — | |
| SCHEMBL727656 | 0.76 | — | — | |
| SCHEMBL14890206 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5601753-A | MIXTURE OF DIFLUORO-ETHANE OR METHANE OR TRIFLUOROETHANE AND ONE OF ISO-OR N-BUTANE, ISO-, N- OR CYCLOPENTANE, PROPANE OR DIMETHYLETHER | DAIKIN INDUSTRIES, LTD. (JP) | 1997-02-11 | — | — | US | claimed |
| US-5426125-A | Flowable melt of copolymer of styrene with acrylic esters or anhydrides or unsaturated alcohols which can be used with lower pressure carbon dioxide | THE DOW CHEMICAL COMPANY (US) | 1995-06-20 | — | — | US | disclosed |