⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20400279 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL30898465 | 0.64 | — | — | |
| SCHEMBL3012280 | 0.62 | — | — | |
| SCHEMBL15068258 | 0.62 | — | — | |
| SCHEMBL11479565 | 0.62 | — | — | |
| SCHEMBL14490174 | 0.61 | PNP (0.31) | — | |
| SCHEMBL13063171 | 0.56 | — | — | |
| SCHEMBL30992734 | 0.56 | MEN1 (0.39) | — | |
| Propylamine SCHEMBL4218807 | 0.54 | HRH2 (0.38) | — | |
| SCHEMBL2763122 | 0.52 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160081951-A1 | NITROXYL DONORS FOR THE TREATMENT OF PULMONARY HYPERTENSION | CARDIOXYL PHARMACEUTICALS, INC. | 2016-03-24 | — | — | US | disclosed |