⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13765939 | 1.00 | — | — | |
| SCHEMBL2891324 | 1.00 | TSHR (0.39) | — | |
| SCHEMBL10828133 | 1.00 | TSHR (0.39) | — | |
| SCHEMBL13889070 | 1.00 | — | — | |
| SCHEMBL13673837 | 1.00 | — | — | |
| SCHEMBL18868463 | 1.00 | — | — | |
| SCHEMBL2568029 | 1.00 | — | — | |
| SCHEMBL15484285 | 0.85 | TSHR (0.50) | — | |
| Bicarbonate SCHEMBL18124343 | 0.82 | CA1 (0.42) | — | |
| SCHEMBL6822236 | 0.78 | TRPA1 (0.42) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4252738-A | 1,2-Halohydrincarboxylic acid esters and a process for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-24 | — | — | US | claimed |
| US-20240390340-A1 | PYRROLIDINE KRAS INHIBITORS | INCYTE CORP (US) | 2024-11-28 | — | — | US | disclosed |
| US-11612606-B2 | 8-aminoisoquinoline compounds and uses thereof | GENENTECH, INC. (US) | 2023-03-28 | — | — | US | disclosed |
| EP-3860980-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2021-08-11 | — | — | EP | disclosed |
| CN-113166062-A | 8-aminoisoquinoline compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-07-23 | — | — | CN | disclosed |
| WO-2020072695-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | WO | disclosed |
| US-20200108075-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | US | disclosed |
| US-20200108075-A1 | 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-04-09 | — | — | US | disclosed |
| US-20180162905-A1 | MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS | ENANTA PHARM INC (US) | 2018-06-14 | — | — | US | disclosed |
| US-20170088583-A1 | MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS | ENANTA PHARM INC (US) | 2017-03-30 | — | — | US | disclosed |
| US-20120070416-A1 | Macrocyclic Proline Derived HCV Serine Protease Inhibitors | ENANTA PHARMACEUTICALS, INC. | 2012-03-22 | — | — | US | disclosed |
| EP-2048167-A2 | First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer | Sumitomo Chemical Company, Limited (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-2048170-A2 | Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer | Sumitomo Chemical Company, Limited (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-2048169-A2 | Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer | Sumitomo Chemical Company, Limited (JP) | 2009-04-15 | — | — | EP | disclosed |
| US-4525201-A | PLANT GROWTH REGULATORS | SHELL OIL COMPANY (US) | 1985-06-25 | — | — | US | disclosed |
| US-4282388-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-04 | — | — | US | disclosed |
| EP-0002214-B1 | BENZYL ETHERS OF CYCLIC 1,2-DIOLS, METHODS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 1981-05-13 | — | — | EP | disclosed |
| US-4252738-A | 1,2-Halohydrincarboxylic acid esters and a process for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-24 | — | — | US | disclosed |
| US-4252738-A | 1,2-Halohydrincarboxylic acid esters and a process for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 1981-02-24 | — | — | US | disclosed |
| EP-0002214-A1 | Benzyl ethers of cyclic 1,2-diols, methods for their preparation and their use as herbicides | BAYER AG (DE) | 1979-06-13 | — | — | EP | disclosed |