⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5358862 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL5645 | 0.79 | TAAR1 (0.59) | — | |
| SCHEMBL1046235 | 0.77 | TAAR1 (0.56) | — | |
| SCHEMBL127492 | 0.75 | — | — | |
| SCHEMBL15352007 | 0.75 | CYP2A6 (0.50) | — | |
| SCHEMBL30330993 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL626076 | 0.73 | TAAR1 (0.68) | — | |
| SCHEMBL3334615 | 0.73 | CYP2A6 (0.57) | — | |
| SCHEMBL15352333 | 0.73 | CYP2A6 (0.48) | — | |
| SCHEMBL18857012 | 0.73 | TAAR1 (0.52) | — |
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 512 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107629020-B | 4H-1,2, 4-oxadiazine-5 (6H) -ketone compound and synthetic method thereof | 湖北科技学院 | 2020-09-04 | — | — | CN | claimed |
| US-20200236935-A1 | a-Amino Acrylate microbicide, and preparation method therefor and uses thereof | UNIV NANKAI (CN) | 2020-07-30 | — | — | US | claimed |
| CN-111362933-A | α -amino acrylic acid microbicide and preparation method and application thereof | 南开大学 | 2020-07-03 | — | — | CN | claimed |
| CN-107176925-B | Synthesis method of polysubstituted imidazoline-2, 4-diketone compound | 湖北科技学院 | 2020-04-28 | — | — | CN | claimed |
| CN-106831492-A | A kind of preparation method of phenylurea herbicide | 常州沃腾化工科技有限公司 | 2017-06-13 | — | — | CN | claimed |
| EP-3160977-A2 | BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS | The University of Kansas (US) | 2017-05-03 | — | — | EP | claimed |
| US-9487553-B2 | Boranophosphate analogues of cyclic nucleotides | BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) | 2016-11-08 | — | — | US | claimed |
| EP-2691403-B1 | NEW BORANOPHOSPHATE ANALOGUES OF CYCLIC NUCLEOTIDES | BIOLOG LIFE SCIENCE INST FORSCHUNGSLABOR UND BIOCHEMICA VERTRIEB GMBH (DE) | 2016-05-18 | — | — | EP | claimed |
| WO-2015200514-A2 | BIPHENYL AMIDES WITH MODIFIED ETHER GROUPS AS HSP90 INHIBITORS AND HSP70 INDUCERS | THE UNIVERSITY OF KANSAS (US) | 2015-12-30 | — | — | WO | claimed |
| EP-1511757-B1 | NEW COMPOUNDS FOR MODULATING THE ACTIVITY OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) | UNIV MEDISCH CENTRUM UTRECHT (NL) | 2015-11-04 | — | — | EP | claimed |
| EP-1115693-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | Monsanto Company (US) | 2001-07-18 | — | — | EP | claimed |
| WO-2000018723-A1 | SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018724-A1 | (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018721-A1 | SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY | MONSANTO COMPANY (US) | 2000-04-06 | — | — | WO | claimed |
| US-5216125-A | Active ester used for production of acylated amino acids | SANSHIN KAGAKU KOGYO CO. LTD. (JP) | 1993-06-01 | — | — | US | claimed |
| EP-0237522-B1 | PHARMACEUTICALLY ACTIVE DERIVATIVES OF TRYPTOPHAN AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1993-02-24 | — | — | EP | claimed |
| US-5021434-A | Aromatase inhibitors | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-06-04 | — | — | US | claimed |
| US-4916144-A | ESTROGEN-CAUSE DISEASES | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-04-10 | — | — | US | claimed |
| EP-0331988-A1 | Sulfonium compounds, as well as process for producing active esters and amides used for the production of amides | SANSHIN KAGAKU KOGYO CO., LTD. (JP) | 1989-09-13 | — | — | EP | claimed |
| EP-0073971-B1 | THIADIAZOLE OXIDES AS GASTRIC ANTISECRETORY AGENTS | MERCK & CO. INC. (US) | 1986-05-21 | — | — | EP | claimed |