⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4972210 | 0.88 | — | — | |
| SCHEMBL10737154 | 0.64 | PLA2G10 (0.36) | — | |
| SCHEMBL9442951 | 0.60 | KDM4E (0.36) | — | |
| SCHEMBL4968217 | 0.59 | — | — | |
| SCHEMBL14789789 | 0.57 | GSK3A (0.59) | — | |
| SCHEMBL28511062 | 0.55 | KMT2A (0.40) | — | |
| SCHEMBL3962659 | 0.55 | PTPRC (0.30) | — | |
| SCHEMBL9532098 | 0.54 | PLA2G10 (0.40) | — | |
| SCHEMBL9371797 | 0.54 | KDM4E (0.40) | — | |
| SCHEMBL28334135 | 0.53 | GSK3A (0.59) | — |
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-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 |