⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8217469 | 1.00 | — | — | |
| SCHEMBL8945907 | 0.92 | — | — | |
| SCHEMBL13531791 | 0.80 | — | — | |
| SCHEMBL11917809 | 0.80 | — | — | |
| SCHEMBL323174 | 0.80 | — | — | |
| Nitrous Acid SCHEMBL11793835 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27502631 | 0.78 | — | — | |
| SCHEMBL11562072 | 0.77 | — | — | |
| SCHEMBL12569211 | 0.75 | SLC6A2 (0.34) | — | |
| Propane SCHEMBL11357480 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020012357-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2020-01-16 | — | — | WO | disclosed |
| US-20160194320-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | ABBVIE DEUTSCHLAND (DE) | 2016-07-07 | — | — | US | disclosed |
| US-9266855-B2 | Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-02-23 | — | — | US | disclosed |
| US-20160016932-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2016-01-21 | — | — | US | disclosed |
| US-20120077840-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | ABBOTT GMBH & CO. KG (DE) | 2012-03-29 | — | — | US | disclosed |