⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13431922 | 0.78 | — | — | |
| SCHEMBL23977542 | 0.77 | — | — | |
| SCHEMBL12643965 | 0.74 | — | — | |
| SCHEMBL949835 | 0.74 | GAA (0.57) | — | |
| SCHEMBL30438020 | 0.74 | GAA (0.57) | — | |
| Isothiocyanate SCHEMBL28990114 | 0.74 | MGAM (0.38) | — | |
| SCHEMBL3895519 | 0.72 | — | — | |
| SCHEMBL8851974 | 0.71 | GAA (0.48) | — | |
| SCHEMBL145800 | 0.71 | — | — | |
| SCHEMBL8390181 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021252644-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2021-12-16 | — | — | WO | disclosed |
| US-10919854-B2 | Mono- or di-substituted indole derivatives as dengue viral replication inhibitors | Janssen Pharmaceuticals, Inc. (US) | 2021-02-16 | — | — | US | disclosed |
| US-20200270209-A1 | MONO- OR DI-SUBSTITUTED INDOLE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS | Janssen Pharmaceuticals, Inc. (US) | 2020-08-27 | — | — | US | disclosed |