⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26132035 | 0.77 | — | — | |
| SCHEMBL29044855 | 0.74 | — | — | |
| SCHEMBL708463 | 0.72 | — | — | |
| SCHEMBL26132841 | 0.72 | — | — | |
| SCHEMBL25973615 | 0.72 | — | — | |
| SCHEMBL28152103 | 0.69 | MGAM (0.33) | — | |
| SCHEMBL7473817 | 0.68 | — | — | |
| SCHEMBL7095245 | 0.68 | — | — | |
| SCHEMBL12540115 | 0.68 | — | — | |
| SCHEMBL7674679 | 0.68 | — | — |
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 10 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 |
| US-20180072722-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Opna Bio SA (CH) | 2018-03-15 | — | — | US | disclosed |
| US-9822109-B2 | Heterocyclic compounds and uses thereof | PLEXXIKON INC. (US) | 2017-11-21 | — | — | US | disclosed |
| US-20170320899-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PLEXXIKON INC. (US) | 2017-11-09 | — | — | US | disclosed |
| US-9718847-B2 | Heterocyclic compounds and uses thereof | PLEXXIKON INC. (US) | 2017-08-01 | — | — | US | 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 |
| US-20160068528-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Opna Bio SA (CH) | 2016-03-10 | — | — | US | disclosed |
| EP-2970265-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PLEXXIKON INC. (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20150133400-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Opna Bio SA (CH) | 2015-05-14 | — | — | US | disclosed |
| WO-2014145051-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | ZHANG JIAZHONG (US) | 2014-09-18 | — | — | WO | disclosed |