⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28101918 | 1.00 | LMNA (0.50) | — | |
| Cyclopropane Carboxylic Acid SCHEMBL11243513 | 0.97 | LMNA (0.48) | — | |
| Formic Acid SCHEMBL949664 | 0.88 | TSHR (0.46) | — | |
| Formic Acid SCHEMBL27763854 | 0.88 | TSHR (0.46) | — | |
| Formic Acid SCHEMBL27875066 | 0.87 | LMNA (0.46) | — | |
| Cyclopropane Carboxylic Acid SCHEMBL10800712 | 0.87 | — | — | |
| Cyclopropane Carboxylic Acid SCHEMBL5499291 | 0.87 | — | — | |
| Cyclopropane Carboxylic Acid SCHEMBL4643 | 0.87 | — | — | |
| SCHEMBL329128 | 0.87 | TSHR (0.61) | — | |
| SCHEMBL26833 | 0.87 | TSHR (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104853617-A | Use of cinnamic acid derivatives containing nitrogen as flavouring agents | SYMRISE AG | 2015-08-19 | — | — | CN | disclosed |
| EP-2210607-A1 | N-[3-fluoro-4-({6-(methyloxy)-7-[(3-piperidin-1-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer | Exelixis Inc. (US) | 2010-07-28 | — | — | EP | disclosed |
| EP-0130482-B1 | DIAMINOCYCLOHEXANE PLATINUM COMPLEXES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Research Corporation (US) | 1988-12-28 | — | — | EP | disclosed |
| US-4758588-A | Diaminocyclohexane platinum complexes | RESEARCH CORPORATION TECHNOLOGIES (US) | 1988-07-19 | — | — | US | disclosed |
| US-4661516-A | WATER SOLUBLE, ANTITUMOR AGENTS | RESEARCH CORPORATION (US) | 1987-04-28 | — | — | US | disclosed |
| EP-0130482-A1 | Diaminocyclohexane platinum complexes, process for preparing same and pharmaceutical compositions containing same | Research Corporation (US) | 1985-01-09 | — | — | EP | disclosed |
| US-4327109-A | INSECTICIDES | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1982-04-27 | — | — | US | disclosed |