⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3174810 | 0.94 | HTR6 (0.31) | — | |
| SCHEMBL4074623 | 0.92 | HTR6 (0.37) | — | |
| SCHEMBL4075846 | 0.88 | — | — | |
| SCHEMBL5730313 | 0.81 | HTR6 (0.37) | — | |
| SCHEMBL19608454 | 0.80 | HTR6 (0.34) | — | |
| SCHEMBL24911008 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL8170698 | 0.69 | HTR6 (0.30) | — | |
| SCHEMBL8170693 | 0.69 | HTR6 (0.30) | — | |
| SCHEMBL26582522 | 0.67 | — | — | |
| SCHEMBL18150769 | 0.66 | KDM4E (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250011330-A1 | Imidazo[1,2- a]pyrazine and Imidazo[1,2- a]pyridine Based Tyrosyl-DNA Phosphodiesterase I (TDP1) Inhibitors | LEIDOS BIOMEDICAL RESEARCH INC. | 2025-01-09 | — | — | US | disclosed |
| WO-2017071636-A1 | PHTHALAZINE KETONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-05-04 | — | — | WO | disclosed |
| US-20090325992-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2009-12-31 | — | — | US | disclosed |
| EP-2055705-A1 | COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF | Ono Pharmaceutical CO., LTD. (JP) | 2009-05-06 | — | — | EP | disclosed |