⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL7334458 | 0.98 | — | — | |
| Bromide SCHEMBL11700718 | 0.98 | — | — | |
| SCHEMBL10292999 | 0.87 | — | — | |
| Bromide SCHEMBL9294581 | 0.85 | L3MBTL1 (0.48) | — | |
| SCHEMBL4790582 | 0.78 | ALDH1A1 (0.53) | — | |
| SCHEMBL28703365 | 0.77 | — | — | |
| SCHEMBL10811418 | 0.77 | — | — | |
| SCHEMBL10726585 | 0.75 | ALDH1A1 (0.54) | — | |
| Bromide SCHEMBL11347475 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL6773584 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107034002-B | Environment-friendly aqueous demolding release composition | 中山市润发纺织材料有限公司 | 2020-01-10 | — | — | CN | claimed |
| CN-107034002-B | Environment-friendly aqueous demolding release composition | 中山市润发纺织材料有限公司 | 2020-01-10 | — | — | CN | disclosed |
| CN-106939248-B | Water-based carbon deposit cleaning composition for automobile | Foshan city cloud Technology Co. Ltd. (CN) | 2019-12-10 | — | — | CN | disclosed |
| US-20120022098-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2012-01-26 | — | — | US | disclosed |
| US-20110059963-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. | 2011-03-10 | — | — | US | disclosed |
| US-7863288-B2 | protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents | PLEXXIKON, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100256365-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. | 2010-10-07 | — | — | US | disclosed |
| US-4475942-A | N-Phosphonomethylglycine derivatives and herbicidal compositions containing them | GESHURI LABORATORIES LTD. (IL) | 1984-10-09 | — | — | US | disclosed |
| EP-0103055-A1 | N-phosphonomethylglycine derivatives and herbicidal compositions containing them | Geshuri Laboratories Ltd. (IL) | 1984-03-21 | — | — | EP | disclosed |