⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10483648 | 0.76 | THRB (0.60) | — | |
| SCHEMBL1068207 | 0.76 | THRB (0.60) | — | |
| SCHEMBL28576789 | 0.74 | — | — | |
| SCHEMBL28574248 | 0.74 | — | — | |
| SCHEMBL16449832 | 0.74 | — | — | |
| SCHEMBL14532196 | 0.70 | THRB (0.52) | — | |
| SCHEMBL258990 | 0.69 | — | — | |
| SCHEMBL7516994 | 0.69 | — | — | |
| SCHEMBL98868 | 0.69 | — | — | |
| SCHEMBL10774112 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110009435-A1 | HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER, INC. (US) | 2011-01-13 | — | — | US | disclosed |
| EP-2170843-A1 | HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | Pfizer Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| WO-2008149191-A1 | HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2008-12-11 | — | — | WO | disclosed |