⚠ 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 | 0.82 | CES1 (0.30) | — | |
| SCHEMBL12447056 | 0.78 | CES1 (0.30) | — | |
| SCHEMBL14882885 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL12447212 | 0.60 | — | — | |
| SCHEMBL10085117 | 0.59 | — | — | |
| SCHEMBL14942554 | 0.57 | — | — | |
| SCHEMBL13470065 | 0.56 | PTGS2 (0.40) | — | |
| SCHEMBL14692605 | 0.56 | PTGS1 (0.39) | — | |
| SCHEMBL10085128 | 0.54 | MAPT (0.41) | — | |
| SCHEMBL14882983 | 0.54 | PTAFR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140221664-A1 | COUPLED HETEROARYL COMPOUNDS VIA REARRANGEMENT OF HALOGENATED HETEROAROMATICS FOLLOWED BY OXIDATIVE COUPLING (ELECTRON WITHDRAWING GROUPS) | GEORGIA TECH RESEARCH CORPORATION (US) | 2014-08-07 | — | — | US | disclosed |