⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28539611 | 0.80 | — | — | |
| SCHEMBL949694 | 0.75 | CYP2C19 (0.31) | — | |
| SCHEMBL10714085 | 0.73 | — | — | |
| SCHEMBL667803 | 0.73 | — | — | |
| SCHEMBL1079279 | 0.71 | — | — | |
| SCHEMBL29046350 | 0.71 | — | — | |
| SCHEMBL21568509 | 0.71 | — | — | |
| SCHEMBL253694 | 0.70 | — | — | |
| SCHEMBL552046 | 0.69 | — | — | |
| SCHEMBL29102001 | 0.69 | KDM4E (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242429-B1 | FUNCTIONALISED SILANE-BASED COMPOUNDS, METHODS FOR PRODUCING THEM AND THEIR USE IN THE AREA OF RUBBER MATERIALS | RHODIA CHIMIE SA (FR) | 2003-07-02 | — | — | EP | disclosed |
| EP-0409198-B1 | A method for preparation of silyl functional fumarates | DOW CORNING (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5089300-A | Using as adhesion promoters for polyolefins | DOW CORNING CORPORATION (US) | 1992-02-18 | — | — | US | disclosed |
| US-5041593-A | Reacting maleate methyl ester with chloroalkyl silane or disiloxane; using amine or phosphine catalyst | DOW CORNING CORPORATION (US) | 1991-08-20 | — | — | US | disclosed |
| EP-0409198-A1 | A method for preparation of silyl functional fumarates | DOW CORNING CORPORATION (US) | 1991-01-23 | — | — | EP | disclosed |