⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10108149 | 0.71 | CYP1A2 (0.31) | — | |
| SCHEMBL10108323 | 0.70 | CSNK2A1 (0.43) | — | |
| SCHEMBL413457 | 0.67 | — | — | |
| SCHEMBL5726080 | 0.67 | BCAT2 (0.44) | — | |
| SCHEMBL18212638 | 0.65 | — | — | |
| SCHEMBL6071352 | 0.64 | — | — | |
| SCHEMBL15548863 | 0.64 | — | — | |
| SCHEMBL10964790 | 0.64 | — | — | |
| SCHEMBL12926021 | 0.64 | — | — | |
| SCHEMBL3033643 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8231691-B2 | Azo dyes | HUNTSMAN INTERNATIONAL LLC (US) | 2012-07-31 | — | — | US | disclosed |
| US-20120077811-A1 | PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2012-03-29 | — | — | US | disclosed |
| US-8063045-B2 | Fluoropyrrolidines having dipeptidyl peptidase enzyme inhibitory activity | SANOFI-AVENTIS (FR) | 2011-11-22 | — | — | US | disclosed |
| US-20100210838-A1 | FLUOROPYRROLIDINES HAVING DIPEPTIDYL PEPTIDASE ENZYME INHIBITORY ACTIVITY | SANOFI-AVENTIS (FR) | 2010-08-19 | — | — | US | disclosed |
| US-20100196676-A1 | AZO DYES | HUNTSMAN INTERNATIONAL LLC (US) | 2010-08-05 | — | — | US | disclosed |
| US-7348327-B2 | Compounds | SANOFI-AVENTIS (FR) | 2008-03-25 | — | — | US | disclosed |