⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6229922 | 0.61 | — | — | |
| SCHEMBL219146 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL17606644 | 0.55 | — | — | |
| SCHEMBL28887453 | 0.55 | — | — | |
| SCHEMBL5376674 | 0.53 | — | — | |
| SCHEMBL13673800 | 0.53 | NPC1 (0.37) | — | |
| SCHEMBL8135262 | 0.52 | — | — | |
| SCHEMBL30037332 | 0.52 | — | — | |
| SCHEMBL27468917 | 0.50 | NISCH (0.30) | — | |
| SCHEMBL9912449 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113214142-B | Apixaban intermediate and preparation method thereof | 浙江九洲药业股份有限公司 | 2024-01-30 | — | — | CN | disclosed |
| US-8642587-B2 | Heterocyclic compounds, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2014-02-04 | — | — | US | disclosed |
| EP-2396323-A1 | Heterocyclic compounds, pharmaceutical compositions containing them, and their use as inhibitors of the glycine transporter 1 | Abbott GmbH & Co. KG (DE) | 2011-12-21 | — | — | EP | disclosed |
| US-20110009378-A1 | Heterocyclic compounds, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO. KG (DE) | 2011-01-13 | — | — | US | disclosed |
| WO-2010092181-A1 | HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | ABBOTT GMBH & CO. KG (DE) | 2010-08-19 | — | — | WO | disclosed |