⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13209034 | 0.82 | IDO1 (0.32) | — | |
| SCHEMBL1396689 | 0.82 | IDO1 (0.32) | — | |
| SCHEMBL2735995 | 0.82 | IDO1 (0.32) | — | |
| SCHEMBL31141331 | 0.82 | IDO1 (0.32) | — | |
| SCHEMBL5049182 | 0.81 | — | — | |
| SCHEMBL2735685 | 0.81 | — | — | |
| SCHEMBL25324039 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL5408250 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL313294 | 0.81 | ADRB2 (0.32) | — | |
| SCHEMBL9656868 | 0.81 | — | — |
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-2009034510-A2 | SELECTIVE PREPARATION OF SOME 2-ALKOXY-ETHANOL DERIVATIVES | FIRMENICH SA (CH) | 2009-03-19 | — | — | WO | disclosed |