⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11688612 | 0.72 | — | — | |
| SCHEMBL19712056 | 0.72 | — | — | |
| SCHEMBL5556246 | 0.72 | — | — | |
| SCHEMBL24770067 | 0.67 | — | — | |
| SCHEMBL27501969 | 0.65 | — | — | |
| SCHEMBL3765597 | 0.65 | — | — | |
| SCHEMBL1401583 | 0.65 | NPC1 (0.48) | — | |
| SCHEMBL291486 | 0.65 | NPC1 (0.48) | — | |
| SCHEMBL4676667 | 0.63 | — | — | |
| SCHEMBL2241578 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0685442-B1 | Reagent and process for the Synthesis of esters and transesterifiable xanthates | RHODIA CHIMIE SA (FR) | 2003-04-23 | — | — | EP | claimed |
| US-5977395-A | ALKYLATION | RHONE-POULENC CHIMIE (FR) | 1999-11-02 | — | — | US | claimed |
| US-5637722-A | ALKYLATION OF NUCLEOPHILE WITH ALKYL PROPARGYL XANTHATE | RHONE-POULENC CHIMIE (FR) | 1997-06-10 | — | — | US | claimed |
| EP-0685442-B1 | Reagent and process for the Synthesis of esters and transesterifiable xanthates | RHODIA CHIMIE SA (FR) | 2003-04-23 | — | — | EP | disclosed |
| US-5977395-A | ALKYLATION | RHONE-POULENC CHIMIE (FR) | 1999-11-02 | — | — | US | disclosed |
| US-5977395-A | ALKYLATION | RHONE-POULENC CHIMIE (FR) | 1999-11-02 | — | — | US | disclosed |
| US-5637722-A | ALKYLATION OF NUCLEOPHILE WITH ALKYL PROPARGYL XANTHATE | RHONE-POULENC CHIMIE (FR) | 1997-06-10 | — | — | US | disclosed |
| US-5637722-A | ALKYLATION OF NUCLEOPHILE WITH ALKYL PROPARGYL XANTHATE | RHONE-POULENC CHIMIE (FR) | 1997-06-10 | — | — | US | disclosed |
| EP-0685442-A1 | Reagent and process for the Synthesis of esters and transesterifiable xanthates | RHONE-POULENC CHIMIE (FR) | 1995-12-06 | — | — | EP | disclosed |