⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27586478 | 0.86 | CYP3A4 (0.30) | — | |
| SCHEMBL28093950 | 0.78 | — | — | |
| SCHEMBL28078849 | 0.78 | — | — | |
| SCHEMBL28113913 | 0.78 | — | — | |
| SCHEMBL29127536 | 0.73 | ACACB (0.32) | — | |
| SCHEMBL9104953 | 0.69 | GAA (0.33) | — | |
| SCHEMBL22410460 | 0.69 | — | — | |
| SCHEMBL29183703 | 0.66 | — | — | |
| SCHEMBL28006765 | 0.64 | — | — | |
| SCHEMBL2930784 | 0.63 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9040560-B2 | Amino azaheterocyclic carboxamides | MERCK PATENT GMBH (DE) | 2015-05-26 | — | — | US | disclosed |
| EP-2396307-B1 | NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2014-10-15 | — | — | EP | disclosed |
| US-20140107156-A1 | Novel Amino Azaheterocyclic Carboxamides | MERCK PATENT GMBH (DE) | 2014-04-17 | — | — | US | disclosed |
| US-8637532-B2 | Amino azaheterocyclic carboxamides | MERCK PATENT GMBH (DE) | 2014-01-28 | — | — | US | disclosed |
| US-20120046269-A1 | Novel Amino Azaheterocyclic Carboxamides | MERCK PATENT GMBH (DE) | 2012-02-23 | — | — | US | disclosed |
| EP-2396307-A1 | NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES | Merck Patent GmbH (DE) | 2011-12-21 | — | — | EP | disclosed |
| WO-2010093419-A1 | NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2010-08-19 | — | — | WO | disclosed |