⚠ 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 | |
|---|---|---|---|---|
| Methylene Chloride SCHEMBL5560682 | 0.81 | — | — | |
| SCHEMBL22637 | 0.76 | — | — | |
| Hypochlorous Acid SCHEMBL8771865 | 0.72 | — | — | |
| SCHEMBL5800562 | 0.71 | — | — | |
| SCHEMBL20819505 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1500349 | 0.71 | — | — | |
| SCHEMBL7397825 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9538 | 0.71 | — | — | |
| SCHEMBL8019633 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1763117 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996014296-A1 | NOVEL PYRROLINONE-BASED COMPOUNDS | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-05-17 | — | — | WO | disclosed |
| US-5514814-A | PEPTIDE MIMICS THE INHIBIT PROTEOLYTIC ENZYMES, HIV | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-05-07 | — | — | US | disclosed |