⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3936320 | 0.81 | — | — | |
| SCHEMBL8468439 | 0.81 | GBA1 (0.37) | — | |
| SCHEMBL3937383 | 0.78 | CPN1 (0.46) | — | |
| SCHEMBL9540250 | 0.77 | GAA (0.40) | — | |
| SCHEMBL28892 | 0.75 | CPN1 (0.39) | — | |
| SCHEMBL8236066 | 0.75 | — | — | |
| SCHEMBL126585 | 0.75 | — | — | |
| SCHEMBL1543623 | 0.75 | SHBG (0.46) | — | |
| SCHEMBL8238840 | 0.75 | — | — | |
| SCHEMBL11926006 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022096930-A2 | NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS, AND USES THEREOF | ILDONG PHARMACEUTICAL CO., LTD. (KR) | 2022-05-12 | — | — | WO | disclosed |
| WO-2009007390-A2 | 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |