⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL175249 | 0.80 | ALDH1A1 (0.67) | — | |
| SCHEMBL28027939 | 0.80 | ALDH1A1 (0.67) | — | |
| SCHEMBL2170448 | 0.78 | — | — | |
| SCHEMBL121301 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27980177 | 0.78 | ALDH1A1 (0.64) | — | |
| SCHEMBL5179242 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1128589 | 0.76 | — | — | |
| SCHEMBL825807 | 0.76 | — | — | |
| SCHEMBL247631 | 0.76 | — | — | |
| SCHEMBL149729 | 0.76 | — | — |
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-2019199800-A1 | SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2019-10-17 | — | — | WO | disclosed |
| EP-2007789-B1 | Spirocyclic HCV/HIV inhibitors and their uses | NOVARTIS AG (CH) | 2015-05-20 | — | — | EP | disclosed |