⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2116254 | 0.81 | — | — | |
| SCHEMBL29262408 | 0.80 | — | — | |
| SCHEMBL16556576 | 0.78 | — | — | |
| SCHEMBL56904 | 0.73 | — | — | |
| SCHEMBL6942053 | 0.71 | — | — | |
| SCHEMBL7031545 | 0.71 | — | — | |
| SCHEMBL16968356 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL29181140 | 0.70 | FFAR1 (0.36) | — | |
| SCHEMBL83693 | 0.69 | — | — | |
| SCHEMBL3081811 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121583-A1 | HETEROARYL-SUBSTITUTED SERINE AMIDES | BASF SE (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008084073-A1 | HETEROARYL-SUBSTITUTED SERINE AMIDES | BASF SE (DE) | 2008-07-17 | — | — | WO | disclosed |