⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7467080 | 0.81 | — | — | |
| SCHEMBL4884867 | 0.80 | — | — | |
| SCHEMBL1004841 | 0.78 | CYP3A4 (0.32) | — | |
| SCHEMBL8589372 | 0.75 | ORAI1 (0.36) | — | |
| SCHEMBL4885824 | 0.75 | — | — | |
| SCHEMBL7456751 | 0.75 | — | — | |
| SCHEMBL15025935 | 0.70 | — | — | |
| SCHEMBL11751623 | 0.70 | — | — | |
| SCHEMBL9843033 | 0.70 | — | — | |
| SCHEMBL631112 | 0.70 | MEN1 (0.31) | — |
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-6210863-B1 | ORTHO-SUBSTITUTED ON AT LEAST TWO ARYL RADICALS, ADDITION POLYMERIZATION | CIBA SPECIALTY CHEMICALS CORPORATION | 2001-04-03 | — | — | US | disclosed |
| US-5952152-A | POLYMERIZABLE MIXTURE COMPRISING AT LEAST ONE ETHYLENICALLY UNSATURATED COMPOUND AND AN ANIONIC BORON COMPOUND ACTIVATOR | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-09-14 | — | — | US | disclosed |