⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL514639 | 0.87 | — | — | |
| Water SCHEMBL9579956 | 0.75 | — | — | |
| SCHEMBL9983847 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6426118 | 0.75 | — | — | |
| SCHEMBL9983522 | 0.75 | — | — | |
| SCHEMBL22802574 | 0.75 | — | — | |
| SCHEMBL31612401 | 0.75 | — | — | |
| SCHEMBL29025755 | 0.71 | — | — | |
| SCHEMBL363823 | 0.71 | — | — | |
| SCHEMBL583864 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6239061-B1 | ACTIVATED WITH ?IONIC ACTIVATORS? SUCH AS BORON COMPOUNDS; ELIMINATES THE NEED FOR CONVENTIONAL CATALYST METALS SUCH AS TITANIUM, HAFNIUM, ZIRCONIUM OR VANADIUM | NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) | 2001-05-29 | — | — | US | disclosed |
| US-6239061-B1 | ACTIVATED WITH ?IONIC ACTIVATORS? SUCH AS BORON COMPOUNDS; ELIMINATES THE NEED FOR CONVENTIONAL CATALYST METALS SUCH AS TITANIUM, HAFNIUM, ZIRCONIUM OR VANADIUM | NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) | 2001-05-29 | — | — | US | disclosed |
| US-6239061-B1 | ACTIVATED WITH ?IONIC ACTIVATORS? SUCH AS BORON COMPOUNDS; ELIMINATES THE NEED FOR CONVENTIONAL CATALYST METALS SUCH AS TITANIUM, HAFNIUM, ZIRCONIUM OR VANADIUM | NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) | 2001-05-29 | — | — | US | disclosed |