⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8702686 | 0.69 | NLRP3 (0.31) | — | |
| SCHEMBL15093629 | 0.69 | — | — | |
| SCHEMBL7696165 | 0.69 | CA2 (0.37) | — | |
| SCHEMBL6050006 | 0.66 | CA2 (0.50) | — | |
| SCHEMBL334335 | 0.66 | — | — | |
| SCHEMBL139418 | 0.66 | TSHR (0.41) | — | |
| SCHEMBL166002 | 0.65 | TSHR (0.44) | — | |
| SCHEMBL1097437 | 0.65 | — | — | |
| SCHEMBL7114758 | 0.65 | CA2 (0.30) | — | |
| SCHEMBL27890802 | 0.64 | — | — |
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-6576159-B1 | Colorants, electroconductive materials; solubility, dissociation | HYDRO-QUEBEC | 2003-06-10 | — | — | US | disclosed |
| US-20030066988-A1 | Malononitrile-derivative anion salts, and their uses as ionic conducting materials | MICHOT CHRISTOPHE (FR) | 2003-04-10 | — | — | US | disclosed |
| EP-0850921-B1 | Ionic conductive materials comprising an ionic compound, derived from malononitrile and uses thereof | CENTRE NAT RECH SCIENT (FR) | 2002-09-25 | — | — | EP | disclosed |
| EP-1201650-A2 | Ionic malonitril derivatives and their uses | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2002-05-02 | — | — | EP | disclosed |
| US-6333425-B1 | IONIC COMPOUNDS DERIVED FROM MALONONITRILE IN WHICH ANIONIC CHARGE IS DELOCALIZED; EXCELLENT PROPERTIES OF SOLUBILITY AND DISSOCIATION | HYDRO-QUEBEC (CA) | 2001-12-25 | — | — | US | disclosed |
| WO-1998029389-A1 | MALONONITRILE-DERIVATIVE ANION SALTS, AND THEIR USES AS IONIC CONDUCTING MATERIALS | HYDRO-QUEBEC (CA) | 1998-07-09 | — | — | WO | disclosed |
| EP-0850921-A1 | Salts of malononitrile derived anions, and their uses as ionic conductive materials | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1998-07-01 | — | — | EP | disclosed |