⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1991316 | 0.76 | — | — | |
| SCHEMBL711852 | 0.76 | — | — | |
| SCHEMBL14329983 | 0.69 | — | — | |
| Trifluoroethanol SCHEMBL4069623 | 0.69 | — | — | |
| SCHEMBL9751331 | 0.69 | — | — | |
| SCHEMBL8891803 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL28666452 | 0.67 | — | — | |
| SCHEMBL4173587 | 0.67 | — | — | |
| SCHEMBL1988961 | 0.67 | — | — | |
| SCHEMBL22789 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107400040-B | Preparation method of 2, 2-difluoro-1, 3-propanediol | 山东飞源新材料有限公司 | 2020-12-25 | — | — | CN | claimed |
| CN-107400040-A | A kind of preparation method of the propane diols of 2,2 difluoro 1,3 | 山东飞源新材料有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-107400040-B | Preparation method of 2, 2-difluoro-1, 3-propanediol | 山东飞源新材料有限公司 | 2020-12-25 | — | — | CN | disclosed |
| CN-107400040-B | Preparation method of 2, 2-difluoro-1, 3-propanediol | 山东飞源新材料有限公司 | 2020-12-25 | — | — | CN | disclosed |
| CN-107400040-A | A kind of preparation method of the propane diols of 2,2 difluoro 1,3 | 山东飞源新材料有限公司 | 2017-11-28 | — | — | CN | disclosed |
| EP-0852604-B1 | A POLYPHENYLENE OXIDE DELIVERY SYSTEM FOR ADHESIVE COMPOSITIONS | ARIZONA CHEM (US) | 2002-04-10 | — | — | EP | disclosed |
| US-5910526-A | HEATING AND MIXING PREBLEND COMPRISING A POLYPHENYLENE ETHER AND B-BLOCK COMPATIBLE RESIN TOGETHER WITH STYRENIC-CONJUGATED DIENE-STRYRENIC-A-B-A BLOCK POLYMER; HIGHER TEMPERAURE HOT MELT ADHESIVES | ARIZONA CHEMICAL COMPANY (US) | 1999-06-08 | — | — | US | disclosed |
| US-5807915-A | HEAT RESISTANCE | ARIZONA CHEMICAL COMPANY (US) | 1998-09-15 | — | — | US | disclosed |
| EP-0852604-A4 | — | — | 1998-08-26 | — | — | EP | disclosed |
| US-5789474-A | HOT MELT ADHESIVE | ARIZONA CHEMICAL COMPANY (US) | 1998-08-04 | — | — | US | disclosed |
| EP-0852604-A1 | A POLYPHENYLENE OXIDE DELIVERY SYSTEM FOR ADHESIVE COMPOSITIONS | ARIZONA CHEMICAL COMPANY (US) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997011997-A1 | A POLYPHENYLENE OXIDE DELIVERY SYSTEM FOR ADHESIVE COMPOSITIONS | ARIZONA CHEMICAL COMPANY (US) | 1997-04-03 | — | — | WO | disclosed |
| US-4365042-A | Compositions of polyphenylene oxides with EPDM-silicone rubber | GENERAL ELECTRIC COMPANY (US) | 1982-12-21 | — | — | US | disclosed |