⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL711772 | 1.00 | — | — | |
| SCHEMBL2303541 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29068663 | 0.97 | — | — | |
| Ethylene Glycol SCHEMBL11328339 | 0.92 | TDP1 (0.38) | — | |
| SCHEMBL3399729 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL3399731 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL3805346 | 0.80 | — | — | |
| SCHEMBL5881401 | 0.78 | GRIK1 (0.37) | — | |
| SCHEMBL7123743 | 0.78 | GRIK1 (0.37) | — | |
| SCHEMBL13001269 | 0.78 | GRIK1 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017204554-A2 | METHOD FOR PREPARING SILANE DERIVATIVES FROM FURAN DERIVATIVES IN PRESENCE OF BORANE CATALYST | 기초과학연구원 | 2017-11-30 | — | — | WO | disclosed |
| US-7687439-B2 | Method of removing an invert emulsion filter cake after the drilling process using a single phase microemulsion | BAKER HUGHES INCORPORATED (US) | 2010-03-30 | — | — | US | disclosed |
| US-20070027253-A1 | Method of removing an invert emulsion filter cake after the drilling process using a single phase microemulsion | BAKER HUGHES INCORPORATED | 2007-02-01 | — | — | US | disclosed |
| US-6107526-A | Process for producing ethyl tertiary butyl ether | UOP LLC (US) | 2000-08-22 | — | — | US | disclosed |