⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1799515 | 0.82 | — | — | |
| SCHEMBL1870613 | 0.72 | — | — | |
| SCHEMBL238010 | 0.71 | — | — | |
| SCHEMBL18155632 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL2519380 | 0.70 | — | — | |
| SCHEMBL4561308 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL18686660 | 0.69 | — | — | |
| SCHEMBL518682 | 0.69 | — | — | |
| SCHEMBL2522575 | 0.68 | QDPR (0.34) | — | |
| Hydrochloric Acid SCHEMBL17181764 | 0.68 | BLM (0.35) | — |
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-3353155-A1 | PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP | AbbVie Deutschland GmbH & Co. KG (DE) | 2018-08-01 | — | — | EP | disclosed |
| WO-2017050807-A1 | PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-03-30 | — | — | WO | disclosed |