⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7373861 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7371540 | 0.97 | NOS2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL7721003 | 0.97 | NOS2 (0.48) | — | |
| SCHEMBL7442710 | 0.92 | NOS2 (0.48) | — | |
| SCHEMBL7370919 | 0.92 | NOS2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL8832387 | 0.90 | NOS2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL7373039 | 0.90 | NOS2 (0.47) | — | |
| SCHEMBL21067372 | 0.74 | NOS2 (0.50) | — | |
| SCHEMBL21067370 | 0.74 | NOS2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL9227242 | 0.67 | NOS2 (0.44) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0688788-B1 | Boronic acid peptide derivatives having protease inhibiting activity, process for preparation thereof and pharmaceutical compositions comprising them | ADIR (FR) | 2001-03-21 | — | — | EP | disclosed |
| EP-0615978-B1 | Peptide derivatives of the boronic acid having protease inhibiting activity, process for their production and pharmaceutical compositions comprising them | ADIR (FR) | 1999-05-12 | — | — | EP | disclosed |
| US-5814622-A | COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS | ADIR ET COMPAGNIE (FR) | 1998-09-29 | — | — | US | disclosed |
| EP-0688788-A1 | Boronic acid peptide derivatives having protease inhibiting activity, process for preparation thereof and pharmaceutical compositions comprising them | ADIR ET COMPAGNIE (FR) | 1995-12-27 | — | — | EP | disclosed |
| WO-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |
| EP-0615978-A1 | Peptide derivatives of the boronic acid having protease inhibiting activity, process for their production and pharmaceutical compositions comprising them | ADIR ET COMPAGNIE (FR) | 1994-09-21 | — | — | EP | disclosed |