⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4968162 | 0.71 | — | — | |
| SCHEMBL4968307 | 0.67 | — | — | |
| SCHEMBL16294185 | 0.63 | — | — | |
| SCHEMBL4968545 | 0.62 | — | — | |
| SCHEMBL4968956 | 0.60 | — | — | |
| SCHEMBL4970347 | 0.59 | — | — | |
| SCHEMBL4969766 | 0.57 | — | — | |
| SCHEMBL4971829 | 0.54 | — | — | |
| SCHEMBL16143324 | 0.50 | ALDH1A1 (0.42) | — | |
| SCHEMBL16143254 | 0.50 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1985297-A1 | CARBOXYLIC ACID COMPOUND AND USE THEREOF | Japan Tobacco, Inc. (JP) | 2008-10-29 | — | — | EP | claimed |
| US-20070197512-A1 | Carboxylic Acid Compounds and Use Thereof | JAPAN TOBACCO INC. (JP) | 2007-08-23 | — | — | US | claimed |
| EP-1985297-A1 | CARBOXYLIC ACID COMPOUND AND USE THEREOF | Japan Tobacco, Inc. (JP) | 2008-10-29 | — | — | EP | disclosed |
| US-20070197512-A1 | Carboxylic Acid Compounds and Use Thereof | JAPAN TOBACCO INC. (JP) | 2007-08-23 | — | — | US | disclosed |