⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14125002 | 0.65 | NOTUM (0.56) | — | |
| Hydrochloric Acid SCHEMBL29550023 | 0.65 | — | — | |
| SCHEMBL11149894 | 0.63 | — | — | |
| SCHEMBL12427497 | 0.63 | — | — | |
| SCHEMBL29881602 | 0.61 | — | — | |
| SCHEMBL356230 | 0.61 | — | — | |
| SCHEMBL1752093 | 0.61 | — | — | |
| SCHEMBL7472166 | 0.61 | NOTUM (0.41) | — | |
| SCHEMBL22216906 | 0.61 | — | — | |
| SCHEMBL11735548 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973767-A1 | INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS | Dupont Pharmaceuticals Company (US) | 2000-01-26 | — | — | EP | disclosed |
| US-5985867-A | TREATING HIV INFECTION | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-11-16 | — | — | US | disclosed |
| WO-1998043969-A1 | INDAZOLES OF CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS | DUPONT PHARMACEUTICALS COMPANY (US) | 1998-10-08 | — | — | WO | disclosed |