⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7044755 | 0.75 | — | — | |
| SCHEMBL19012585 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL1104153 | 0.73 | — | — | |
| SCHEMBL28490604 | 0.73 | — | — | |
| SCHEMBL9893474 | 0.73 | FDPS (0.37) | — | |
| SCHEMBL14980226 | 0.71 | — | — | |
| SCHEMBL428658 | 0.71 | — | — | |
| SCHEMBL16326319 | 0.71 | — | — | |
| SCHEMBL12133390 | 0.69 | — | — | |
| SCHEMBL1104134 | 0.69 | — | — |
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-6384238-B1 | ACYLATION OF STERICALLY HINDERED ALCOHOLS; METAL HALIDE CATALYST | LEK PHARMACEUTICAL AND CHEMICAL COMPANY D.D. (SI) | 2002-05-07 | — | — | US | disclosed |
| US-4175191-A | 4-Phenyl isoquinolines | SANDOZ, INC. (US) | 1979-11-20 | — | — | US | disclosed |
| US-3989704-A | 3-Substituted-4-aryl isoquinolines | SANDOZ, INC. (US) | 1976-11-02 | — | — | US | disclosed |