⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9483267 | 1.00 | — | — | |
| SCHEMBL8992263 | 0.76 | — | — | |
| SCHEMBL14019548 | 0.76 | — | — | |
| SCHEMBL14018927 | 0.76 | — | — | |
| SCHEMBL10625821 | 0.75 | — | — | |
| SCHEMBL6002343 | 0.72 | — | — | |
| SCHEMBL7966312 | 0.72 | — | — | |
| SCHEMBL12688047 | 0.69 | MET (0.38) | — | |
| SCHEMBL25216609 | 0.67 | — | — | |
| SCHEMBL15316464 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8318804-B2 | Antiviral activity of cyclopentene nitro-ester and derivatives | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-11-27 | — | — | US | disclosed |
| US-8236853-B1 | Formation of cyclopentene nitro-ester and derivatives | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-08-07 | — | — | US | disclosed |
| US-8236853-B1 | Formation of cyclopentene nitro-ester and derivatives | UNIVERSITY OF SOUTH FLORIDA (US) | 2012-08-07 | — | — | US | disclosed |
| US-20100249230-A1 | ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES | UNIVERSITY OF SOUTH FLORIDA (US) | 2010-09-30 | — | — | US | disclosed |
| WO-2009076397-A2 | ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES | UNIVERSITY OF SOUTH FLORIDA (US) | 2009-06-18 | — | — | WO | disclosed |