⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10713958 | 1.00 | TSHR (0.46) | — | |
| SCHEMBL4873099 | 1.00 | TSHR (0.46) | — | |
| SCHEMBL18918455 | 1.00 | — | — | |
| SCHEMBL22489 | 1.00 | — | — | |
| SCHEMBL1789456 | 0.95 | — | — | |
| Cyclohexane SCHEMBL7515073 | 0.95 | TSHR (0.42) | — | |
| Bromide SCHEMBL1786729 | 0.95 | TSHR (0.42) | — | |
| Methane SCHEMBL29241723 | 0.95 | — | — | |
| SCHEMBL28908204 | 0.95 | — | — | |
| Water SCHEMBL28636710 | 0.95 | — | — |
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 3 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 |
| WO-2008084070-A1 | BENZOYL-SUBSTITUTED SERINE AMIDES | BASF SE (DE) | 2008-07-17 | — | — | WO | disclosed |