⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6447188 | 0.82 | — | — | |
| SCHEMBL6252661 | 0.71 | — | — | |
| SCHEMBL8420568 | 0.71 | — | — | |
| SCHEMBL8770709 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8596439 | 0.67 | — | — | |
| SCHEMBL19560431 | 0.67 | — | — | |
| SCHEMBL4743792 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1539719 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL1539624 | 0.67 | — | — | |
| Iodide SCHEMBL1539737 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1461152-A1 | BULKY BORATE ACTIVATORS | ExxonMobil Chemical Patents Inc. (US) | 2004-09-29 | — | — | EP | disclosed |
| WO-2003049856-A1 | BULKY BORATE ACTIVATORS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-06-19 | — | — | WO | disclosed |
| US-5017714-A | Silicon-bridged transition metal compounds | EXXON CHEMICAL PATENTS INC. (US) | 1991-05-21 | — | — | US | disclosed |