⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15048360 | 0.92 | TSHR (0.32) | — | |
| SCHEMBL669588 | 0.83 | — | — | |
| SCHEMBL17851370 | 0.82 | — | — | |
| SCHEMBL15048448 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1500025 | 0.79 | — | — | |
| SCHEMBL109719 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL16557008 | 0.73 | TSHR (0.41) | — | |
| SCHEMBL7898229 | 0.71 | — | — | |
| SCHEMBL6442888 | 0.71 | — | — | |
| SCHEMBL8749411 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10004732-B2 | Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors | NOVARTIS AG (CH) | 2018-06-26 | — | — | US | disclosed |
| US-20170306234-A1 | LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-10-26 | — | — | US | disclosed |
| US-20170145312-A1 | LIQUID CRYSTAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-05-25 | — | — | US | disclosed |
| US-20170042889-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-16 | — | — | US | disclosed |
| US-20170037032-A1 | AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-09 | — | — | US | disclosed |
| EP-2508504-B1 | PROCESS FOR PREPARATION OF CYCLOALKANEDICARBOXYLIC ACID MONOESTERS | SUMITOMO CHEMICAL CO (JP) | 2016-04-13 | — | — | EP | disclosed |
| WO-2010111634-A2 | RENIN INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |