⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16307242 | 0.88 | PTGS1 (0.32) | — | |
| SCHEMBL13096347 | 0.86 | PTGS1 (0.33) | — | |
| SCHEMBL13096352 | 0.86 | PTGS1 (0.33) | — | |
| SCHEMBL18504937 | 0.84 | — | — | |
| SCHEMBL16307286 | 0.76 | HSF1 (0.33) | — | |
| SCHEMBL17188374 | 0.75 | PTGS1 (0.30) | — | |
| SCHEMBL17528652 | 0.74 | PTGS1 (0.32) | — | |
| SCHEMBL16307265 | 0.74 | PTGS1 (0.32) | — | |
| SCHEMBL16307263 | 0.74 | PTGS1 (0.32) | — | |
| SCHEMBL17188378 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9505876-B2 | Preparation of high molecular weight polymers by direct arylation and heteroarylation | UNIVERSITE LAVAL (CA) | 2016-11-29 | — | — | US | disclosed |
| US-20140371409-A1 | PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION | UNIVERSITE LAVAL (CA) | 2014-12-18 | — | — | US | disclosed |