⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23097741 | 0.73 | — | — | |
| SCHEMBL17656186 | 0.73 | — | — | |
| SCHEMBL13636125 | 0.72 | — | — | |
| SCHEMBL23348516 | 0.69 | NOS3 (0.30) | — | |
| SCHEMBL1887913 | 0.69 | — | — | |
| SCHEMBL12351640 | 0.69 | — | — | |
| SCHEMBL5924356 | 0.65 | — | — | |
| SCHEMBL15427690 | 0.65 | — | — | |
| SCHEMBL21199994 | 0.65 | — | — | |
| SCHEMBL21615393 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019018583-A1 | 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF | GiraFpharma LLC (US) | 2019-01-24 | — | — | WO | disclosed |
| US-20140200215-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | INTERMUNE, INC. | 2014-07-17 | — | — | US | disclosed |
| EP-2148874-B1 | PYRIMIDINE DERIVATIVES AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS | IRM LLC (BM) | 2012-02-08 | — | — | EP | disclosed |