⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18039768 | 0.88 | F2 (0.37) | — | |
| SCHEMBL18039967 | 0.85 | F2 (0.41) | — | |
| SCHEMBL18040013 | 0.83 | PKM (0.33) | — | |
| SCHEMBL18039992 | 0.82 | PKM (0.36) | — | |
| SCHEMBL18039893 | 0.81 | PKM (0.36) | — | |
| SCHEMBL18039730 | 0.81 | PKM (0.36) | — | |
| SCHEMBL18040058 | 0.80 | AKR1C3 (0.31) | — | |
| SCHEMBL18040035 | 0.79 | PKM (0.35) | — | |
| SCHEMBL18039915 | 0.78 | PKM (0.37) | — | |
| SCHEMBL29905847 | 0.78 | F2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3261639-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS | VERSEON INT CORPORATION (US) | 2022-08-24 | — | — | EP | disclosed |
| US-20200109132-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS | VERSEON INTERNATIONAL CORPORATION | 2020-04-09 | — | — | US | disclosed |
| US-20180237421-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS | VERSEON INTERNATIONAL CORPORATION | 2018-08-23 | — | — | US | disclosed |
| EP-3261639-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS | Verseon Corporation (US) | 2018-01-03 | — | — | EP | disclosed |
| WO-2016138532-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS | VERSEON CORPORATION (US) | 2016-09-01 | — | — | WO | disclosed |