⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14454893 | 1.00 | — | — | |
| SCHEMBL1880345 | 1.00 | — | — | |
| SCHEMBL14138373 | 0.84 | HCAR2 (0.52) | — | |
| SCHEMBL8492180 | 0.83 | HCAR2 (0.38) | — | |
| SCHEMBL8492181 | 0.83 | HCAR2 (0.38) | — | |
| SCHEMBL28135042 | 0.82 | HCAR2 (0.60) | — | |
| SCHEMBL1879216 | 0.82 | HCAR2 (0.61) | — | |
| SCHEMBL1879214 | 0.82 | HCAR2 (0.61) | — | |
| Diethyl Maleate SCHEMBL2015896 | 0.82 | HCAR2 (0.80) | — | |
| Diethyl Maleate SCHEMBL42602 | 0.82 | HCAR2 (0.80) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3144297-A1 | ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR PRODUCING SAME | Asahi Glass Company, Limited (JP) | 2017-03-22 | — | — | EP | disclosed |
| US-20170050934-A1 | ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION | ASAHI GLASS COMPANY, LIMITED (JP) | 2017-02-23 | — | — | US | disclosed |
| EP-1666440-B1 | METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2014-01-22 | — | — | EP | disclosed |
| US-7939674-B2 | Process for producing an aromatic unsaturated compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-10 | — | — | US | disclosed |
| US-7700642-B2 | Process for producing an aromatic unsaturated compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-20 | — | — | US | disclosed |
| US-7608727-B2 | Process for the preparation of furan compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-10-27 | — | — | US | disclosed |
| US-20090111999-A1 | PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-04-30 | — | — | US | disclosed |
| US-20080221337-A1 | Process for Producing an Aromatic Unsaturated Compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-09-11 | — | — | US | disclosed |
| EP-1826202-A1 | Process for the preparation of furan compounds | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2007-08-29 | — | — | EP | disclosed |
| US-20070197806-A1 | Process for the preparation of furan compounds | DAICEL CHEMICAL INDUSTRIES, LTD. | 2007-08-23 | — | — | US | disclosed |
| US-6541656-B2 | Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound | NIPPON SHOKUBAI COMPANY, LTD. (JP) | 2003-04-01 | — | — | US | disclosed |
| US-20010034300-A1 | Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound | NIPPON SHOKUBAI COMPANY LTD. (JP) | 2001-10-25 | — | — | US | disclosed |
| EP-1123915-A1 | Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process | Nippon Shokubai Co., Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |
| US-RE30024-E | ANTIALLERGENS | STERLING DRUG INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4118571-A | ANTIALLERGENS | STERLING DRUG INC. (US) | 1978-10-03 | — | — | US | disclosed |
| US-4086233-A | ANTIALLERGENS | STERLING DRUG INC. (US) | 1978-04-25 | — | — | US | disclosed |
| US-4032523-A | ANTIALLERGENS | STERLING DRUG INC. (US) | 1977-06-28 | — | — | US | disclosed |
| US-4028201-A | Electrolytic monocarboxylation of activated olefins | MONSANTO COMPANY (US) | 1977-06-07 | — | — | US | disclosed |
| US-4018770-A | ANTIALLERGENS | STERLING DRUG INC. (US) | 1977-04-19 | — | — | US | disclosed |
| US-4013524-A | Electrolytic carboxylation and dimerization of olefins | MONSANTO COMPANY (US) | 1977-03-22 | — | — | US | disclosed |