⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19177004 | 1.00 | — | — | |
| SCHEMBL18931793 | 0.75 | CES2 (0.32) | — | |
| SCHEMBL10643014 | 0.75 | CES2 (0.32) | — | |
| SCHEMBL10643011 | 0.75 | CES2 (0.32) | — | |
| SCHEMBL25476759 | 0.75 | — | — | |
| SCHEMBL18857268 | 0.75 | — | — | |
| SCHEMBL20733691 | 0.75 | — | — | |
| SCHEMBL6598428 | 0.73 | — | — | |
| SCHEMBL6598423 | 0.73 | — | — | |
| SCHEMBL24414804 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109704935-A | A method of preparing perfluor -3- methyl -2- butanone | 浙江蓝天环保高科技股份有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-1174562-A | Rigid polyurethane foams | ICI PLC (GB) | 1998-02-25 | — | — | CN | disclosed |
| EP-0809671-A1 | RIGID POLYURETHANE FOAMS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025455-A1 | RIGID POLYURETHANE FOAMS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-08-22 | — | — | WO | disclosed |
| CN-1043930-A | Substituted olefine and preparation method thereof and the application on sterilant | SCHERING AG (DE) | 1990-07-18 | — | — | CN | disclosed |