⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20132622 | 0.98 | MAPK1 (0.31) | — | |
| SCHEMBL24566446 | 0.98 | MAPK1 (0.31) | — | |
| SCHEMBL20000800 | 0.74 | — | — | |
| SCHEMBL22617572 | 0.72 | — | — | |
| SCHEMBL20000795 | 0.71 | — | — | |
| SCHEMBL1085801 | 0.65 | — | — | |
| SCHEMBL12157654 | 0.63 | — | — | |
| SCHEMBL25046890 | 0.61 | — | — | |
| SCHEMBL17087013 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL17554548 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9630935-B2 | Compositions for the treatment of hypertension and/or fibrosis | VECTUS BIOSYSTEMS LIMITED (AU) | 2017-04-25 | — | — | US | disclosed |
| US-20160280671-A1 | COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS | VECTUS BIOSYSTEMS LIMITED (AU) | 2016-09-29 | — | — | US | disclosed |
| US-9365574-B2 | Soluble guanylate cyclase activators | MERCK SHARP & DOHME CORP. (US) | 2016-06-14 | — | — | US | disclosed |