⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4868604 | 0.98 | — | — | |
| SCHEMBL6672727 | 0.84 | — | — | |
| SCHEMBL4577318 | 0.83 | — | — | |
| SCHEMBL4598381 | 0.81 | — | — | |
| SCHEMBL4873924 | 0.79 | — | — | |
| SCHEMBL12475769 | 0.74 | — | — | |
| SCHEMBL4592009 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL817179 | 0.73 | — | — | |
| SCHEMBL8409116 | 0.70 | — | — | |
| SCHEMBL4866371 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1463738-A1 | PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES | Exxonmobil Chemical Patents Inc. (US) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003051892-A1 | PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-06-26 | — | — | WO | disclosed |