⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22022953 | 0.63 | NISCH (0.47) | — | |
| Bromide SCHEMBL28296934 | 0.61 | — | — | |
| SCHEMBL10050837 | 0.58 | — | — | |
| SCHEMBL12550550 | 0.58 | — | — | |
| SCHEMBL2221820 | 0.58 | — | — | |
| SCHEMBL9966682 | 0.57 | — | — | |
| SCHEMBL1364578 | 0.57 | — | — | |
| SCHEMBL1550826 | 0.57 | — | — | |
| SCHEMBL27485944 | 0.57 | — | — | |
| SCHEMBL10077214 | 0.56 | — | — |
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-20090253715-A1 | HETEROARYL-CONTAINING ISOFLAVONES AS AROMATASE INHIBITORS | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2009-10-08 | — | — | US | disclosed |
| US-7572919-B2 | 7-Hydroxy-3-(4-hydroxyphenyl)-2-[(phenylmethyl)thio]-4H-1-benzopyran-4-one, for example; reacting deoxybenzoins with a phase transfer catalyst to provide a 2-(alkylthio)isoflavone, deprotecting the 2-(alkylthio)isoflavon, and applying selective debenzylation to form the final compound | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2009-08-11 | — | — | US | disclosed |
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |
| US-4245033-A | AN ORGANIC SILVER SALT, A HALIDE AND A SULFUR COMPOUND EXPOSED TO FORM A SILVER IMAGE OF HIGH CONTRAST AND STABILITY | CANON KABUSHIKI KAISHA (JP) | 1981-01-13 | — | — | US | disclosed |