⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3563784 | 0.86 | — | — | |
| SCHEMBL4506413 | 0.83 | MEN1 (0.45) | — | |
| SCHEMBL8539917 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL28514942 | 0.78 | — | — | |
| SCHEMBL6676785 | 0.78 | — | — | |
| SCHEMBL3322648 | 0.76 | — | — | |
| SCHEMBL64399 | 0.75 | — | — | |
| SCHEMBL11105491 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL4607750 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL16463758 | 0.73 | HTT (0.35) | — |
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-5719155-A | CARDIOVASCULAR DISORDERS | JAPAN TOBACCO INC. (JP) | 1998-02-17 | — | — | US | disclosed |
| EP-0677519-A1 | CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF | Japan Tobacco Inc. (JP) | 1995-10-18 | — | — | EP | disclosed |