⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18428903 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL15531969 | 0.65 | — | — | |
| SCHEMBL856445 | 0.65 | — | — | |
| SCHEMBL347061 | 0.62 | IDO1 (0.41) | — | |
| SCHEMBL1880902 | 0.62 | IDO1 (0.41) | — | |
| SCHEMBL12302294 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL4572706 | 0.60 | IDO1 (0.32) | — | |
| SCHEMBL12313784 | 0.59 | POLB (0.30) | — | |
| SCHEMBL12817004 | 0.59 | — | — | |
| SCHEMBL15945799 | 0.57 | ALDH1A1 (0.39) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114634512-A | Compound as Bruton's tyrosine kinase inhibitor, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-06-17 | — | — | CN | disclosed |
| WO-2016141890-A1 | COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS AND PHARMACEUTICAL USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-09-15 | — | — | WO | disclosed |
| EP-2603504-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-06-19 | — | — | EP | disclosed |
| US-20120195857-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-08-02 | — | — | US | disclosed |
| WO-2012021591-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-16 | — | — | WO | disclosed |
| US-5770763-A | POLYARYLCYCLOBUTENES DERIVED FROM 3,6 FUNCTIONALIZED MONO AND DICYCLOBUTABENZENE | THE BOARD OF REGENTS OF THE UNIV. OF MICHIGAN (US) | 1998-06-23 | — | — | US | disclosed |
| US-5552508-A | Difunctional bitricyclodecatriene monomers | UNIVERSITY OF MICHIGAN, THE BOARD OF REGENTS (US) | 1996-09-03 | — | — | US | disclosed |
| US-5418312-A | Polymer properties | THE BOARD OF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 1995-05-23 | — | — | US | disclosed |
| US-5334752-A | Difunctionalized to be incorporated into polymers for compressive strength | THE BOARD OF REGENTS ACTING FOR AND ON BEHALF OF UNIVERSITY OF MICHIGAN (US) | 1994-08-02 | — | — | US | disclosed |
| WO-1994001388-A1 | CYCLOBUTABENZENE MONOMERS AND METHODS OF MAKING AND USING SAME | UNIVERSITY OF MICHIGAN (US) | 1994-01-20 | — | — | WO | disclosed |