⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14889109 | 0.79 | — | — | |
| SCHEMBL3649824 | 0.79 | CYP2C19 (0.33) | — | |
| SCHEMBL11549841 | 0.74 | — | — | |
| SCHEMBL11800628 | 0.73 | — | — | |
| SCHEMBL4697756 | 0.73 | — | — | |
| SCHEMBL17150604 | 0.73 | — | — | |
| SCHEMBL22057190 | 0.71 | — | — | |
| SCHEMBL4779614 | 0.71 | — | — | |
| SCHEMBL933002 | 0.71 | — | — | |
| SCHEMBL16665095 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8207222-B2 | Nitric oxide releasing derivatives of paracetamol | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2012-06-26 | — | — | US | disclosed |
| US-20100234472-A1 | NITRIC OXIDE RELEASING DERIVATIVES OF PARACETAMOL | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH | 2010-09-16 | — | — | US | disclosed |