⚠ 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL5665403 | 0.72 | TSHR (0.69) | — | |
| Fumaric Acid SCHEMBL5665409 | 0.72 | TSHR (0.69) | — | |
| SCHEMBL15241755 | 0.71 | — | — | |
| Fumaric Acid SCHEMBL615 | 0.69 | — | — | |
| Fumaric Acid SCHEMBL2046433 | 0.69 | TSHR (1.00) | — | |
| Fumaric Acid SCHEMBL3998225 | 0.69 | — | — | |
| Maleic Acid SCHEMBL2046430 | 0.69 | TSHR (1.00) | — | |
| Maleic Acid SCHEMBL613 | 0.69 | — | — | |
| Maleic Acid SCHEMBL20487516 | 0.69 | TSHR (1.00) | — | |
| Fumaric Acid SCHEMBL6875 | 0.69 | TSHR (1.00) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105461629-B | A kind of preparation method of the formic acid esters of 3 fluoroalkyl 1H pyrazoles 4 | 天津大学 | 2018-02-16 | — | — | CN | claimed |
| CN-105461629-B | A kind of preparation method of the formic acid esters of 3 fluoroalkyl 1H pyrazoles 4 | 天津大学 | 2018-02-16 | — | — | CN | disclosed |
| US-8338473-B2 | Derivatives of psammaplin A, a method for their synthesis and their uses for the prevention or treatment of cancer | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-12-25 | — | — | US | disclosed |
| EP-2137147-B1 | NOVEL DERIVATIVES OF PSAMMAPLIN A, A METHOD FOR THEIR SYNTHESIS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF CANCER | CENTRE NAT RECH SCIENT (FR) | 2011-07-13 | — | — | EP | disclosed |
| US-20100120885-A1 | Novel Derivatives of Psammaplin A, A Method For Their Synthesis And Their Uses For The Prevention Or Treatment Of Cancer | RADBOUND UNIVERSITY NIJMEGEN (NL) | 2010-05-13 | — | — | US | disclosed |
| EP-2137147-A1 | NOVEL DERIVATIVES OF PSAMMAPLIN A, A METHOD FOR THEIR SYNTHESIS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF CANCER | Centre National de la Recherche Scientifique (FR) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008125988-A1 | NOVEL DERIVATIVES OF PSAMMAPLIN A, A METHOD FOR THEIR SYNTHESIS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF CANCER | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2008-10-23 | — | — | WO | disclosed |
| EP-1964835-A1 | Derivatives of psammaplin A, a method for their synthesis and their use for the prevention or treatment of cancer | Centre National de la Recherche Scientifique (FR) | 2008-09-03 | — | — | EP | disclosed |
| US-6746562-B2 | STABLE CROSSLINKED STRUCTURE AT ROOM TEMPERATURE, THEREBY HAVING RUBBER PLASTICITY, SUFFICIENT MELT FLOWABILITY AND REPEATED CROSSLINKING FORMATION AND DISSOCIATION | THE YOKOHAMA RUBBER CO., LTD (JP) | 2004-06-08 | — | — | US | disclosed |
| US-20040059060-A1 | Thermo-reversible, crosslinkable elastomer and composition thereof | CHINO KEISUKE (JP) | 2004-03-25 | — | — | US | disclosed |