⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9405651 | 1.00 | — | — | |
| SCHEMBL9405652 | 1.00 | — | — | |
| SCHEMBL8542664 | 1.00 | — | — | |
| SCHEMBL5176538 | 0.79 | — | — | |
| SCHEMBL11457161 | 0.79 | — | — | |
| SCHEMBL9398099 | 0.79 | — | — | |
| SCHEMBL50644 | 0.79 | — | — | |
| SCHEMBL10624091 | 0.79 | — | — | |
| SCHEMBL3646862 | 0.79 | — | — | |
| SCHEMBL29112983 | 0.77 | ALDH1A1 (0.31) | — |
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 5 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 | disclosed |
| US-20070197512-A1 | Carboxylic Acid Compounds and Use Thereof | JAPAN TOBACCO INC. (JP) | 2007-08-23 | — | — | US | disclosed |
| CN-1415635-A | Liquid crystal containing two ferroelectric polyacrylate with chiral center and its synthetic method | UNIV NANKAI (CN) | 2003-05-07 | — | — | CN | disclosed |
| US-6121448-A | LIQUID CRYSTALLINE COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2000-09-19 | — | — | US | disclosed |
| WO-1996030344-A2 | PYRIMIDINE COMPOUNDS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1996-10-03 | — | — | WO | disclosed |