⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9978479 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL3673837 | 0.97 | — | — | |
| Fluoride SCHEMBL1130367 | 0.97 | — | — | |
| SCHEMBL9067235 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3682728 | 0.93 | — | — | |
| SCHEMBL4591011 | 0.91 | — | — | |
| Fluoride SCHEMBL1130814 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL3677807 | 0.88 | — | — | |
| SCHEMBL3842779 | 0.85 | — | — | |
| SCHEMBL6447853 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7077977-B2 | Bulky borate activations | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-07-18 | — | — | US | disclosed |
| US-20040254065-A1 | Bulky borate activations | EXXONMOBIL CHEMICAL PATENTS INC. | 2004-12-16 | — | — | US | disclosed |