⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL291467 | 0.73 | — | — | |
| SCHEMBL5075200 | 0.71 | — | — | |
| SCHEMBL7965356 | 0.71 | — | — | |
| SCHEMBL1935360 | 0.69 | — | — | |
| SCHEMBL126062 | 0.67 | — | — | |
| SCHEMBL7961408 | 0.65 | — | — | |
| SCHEMBL7994772 | 0.65 | — | — | |
| SCHEMBL10779147 | 0.64 | — | — | |
| SCHEMBL4886964 | 0.63 | — | — | |
| SCHEMBL7055162 | 0.63 | — | — |
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-0288400-B1 | SUBSTITUTED ISOQUINOLINES | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1993-02-03 | — | — | EP | disclosed |
| EP-0288400-A1 | Substituted isoquinolines | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1988-10-26 | — | — | EP | disclosed |