⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL793199 | 0.74 | CES1 (0.30) | — | |
| SCHEMBL12447056 | 0.70 | CES1 (0.30) | — | |
| SCHEMBL12447705 | 0.66 | PTGS1 (0.31) | — | |
| SCHEMBL14882885 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL12447214 | 0.63 | — | — | |
| SCHEMBL15915893 | 0.60 | — | — | |
| SCHEMBL14942554 | 0.57 | — | — | |
| SCHEMBL10085117 | 0.56 | — | — | |
| SCHEMBL12228810 | 0.52 | — | — | |
| SCHEMBL8459278 | 0.51 | NOS2 (0.69) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011098495-A1 | METHOD OF MAKING COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-08-18 | — | — | WO | disclosed |