⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4118745 | 0.64 | — | — | |
| SCHEMBL128399 | 0.64 | NQO1 (0.43) | — | |
| SCHEMBL10635336 | 0.64 | NQO1 (0.38) | — | |
| SCHEMBL2212155 | 0.62 | NQO1 (0.41) | — | |
| SCHEMBL4916717 | 0.60 | — | — | |
| SCHEMBL49802 | 0.59 | — | — | |
| SCHEMBL883888 | 0.59 | — | — | |
| SCHEMBL146623 | 0.59 | NQO1 (0.50) | — | |
| SCHEMBL4260892 | 0.59 | NQO1 (0.38) | — | |
| SCHEMBL2302755 | 0.59 | NQO1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6204277-B1 | TREATING DIABETES | JAPAN TOBACCO INC. (JP) | 2001-03-20 | — | — | US | disclosed |
| EP-0930299-A1 | PROPIONIC ACID DERIVATIVES AND APPLICATIONS THEREOF | Japan Tobacco Inc. (JP) | 1999-07-21 | — | — | EP | disclosed |
| 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 |