⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL995744 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL11586345 | 0.86 | — | — | |
| SCHEMBL7536215 | 0.78 | — | — | |
| SCHEMBL15738590 | 0.74 | — | — | |
| SCHEMBL76624 | 0.74 | — | — | |
| SCHEMBL17247994 | 0.73 | — | — | |
| SCHEMBL1015733 | 0.71 | — | — | |
| SCHEMBL28479783 | 0.71 | — | — | |
| SCHEMBL28484983 | 0.71 | — | — | |
| SCHEMBL10407817 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170081466-A1 | ASSOCIATIVE POLYMERS FOR USE IN A FLOW AND RELATED COMPOSITIONS, METHODS AND SYSTEMS | NASA | 2017-03-23 | — | — | US | disclosed |
| US-8097621-B2 | Pyrazolo[4,3-d]pyrimidines as phosphodiesterase inhibitors | PFIZER INC. (US) | 2012-01-17 | — | — | US | disclosed |
| US-20090247539-A1 | Novel Pharmaceuticals | PFIZER INC | 2009-10-01 | — | — | US | disclosed |
| US-7572799-B2 | Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors | PFIZER INC (US) | 2009-08-11 | — | — | US | disclosed |