⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10998085 | 0.76 | — | — | |
| SCHEMBL19418924 | 0.69 | CYP2A6 (0.30) | — | |
| SCHEMBL17081170 | 0.67 | — | — | |
| SCHEMBL84735 | 0.67 | — | — | |
| SCHEMBL4451007 | 0.64 | — | — | |
| SCHEMBL172837 | 0.64 | — | — | |
| SCHEMBL964580 | 0.64 | — | — | |
| SCHEMBL969288 | 0.62 | — | — | |
| SCHEMBL6014669 | 0.62 | — | — | |
| SCHEMBL8986164 | 0.62 | — | — |
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-10005727-B2 | Compound and analogues for tracing histone acetylation inhibitors PET imaging for diagnosis and treatment of tumors | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL EXECUTIVE YUAN (TW) | 2018-06-26 | — | — | US | disclosed |
| US-10005727-B2 | Compound and analogues for tracing histone acetylation inhibitors PET imaging for diagnosis and treatment of tumors | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL EXECUTIVE YUAN (TW) | 2018-06-26 | — | — | US | disclosed |
| US-20180099933-A1 | Compound and analogues for tracing histone acetylation inhibitors PET imaging for diagnosis and treatment of tumors | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL EXECUTIVE YUAN (TW) | 2018-04-12 | — | — | US | disclosed |
| US-20180099933-A1 | Compound and analogues for tracing histone acetylation inhibitors PET imaging for diagnosis and treatment of tumors | INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL EXECUTIVE YUAN (TW) | 2018-04-12 | — | — | US | disclosed |