⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL987906 | 0.84 | TSHR (0.65) | — | |
| SCHEMBL16198017 | 0.79 | TSHR (0.58) | — | |
| Acetic Acid SCHEMBL11076307 | 0.79 | TSHR (0.58) | — | |
| SCHEMBL1460735 | 0.79 | TSHR (0.58) | — | |
| SCHEMBL1796201 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL75863 | 0.77 | — | — | |
| SCHEMBL19387187 | 0.77 | — | — | |
| SCHEMBL3814630 | 0.77 | TSHR (0.55) | — | |
| SCHEMBL17489309 | 0.77 | — | — | |
| SCHEMBL15509039 | 0.77 | — | — |
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-20130165685-A1 | SYNTHESIS OF OMEGA-AMINO CARBOXYLIC ACIDS AND THEIR ESTERS FROM UNSATURATED FATTY ACID DERIVATIVES | EVONIK DEGUSSA GMBH (DE) | 2013-06-27 | — | — | US | disclosed |