⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24112627 | 1.00 | — | — | |
| SCHEMBL24187671 | 0.91 | KDM4E (0.41) | — | |
| SCHEMBL24187617 | 0.80 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL24112224 | 0.79 | CRBN (0.31) | — | |
| SCHEMBL24112720 | 0.79 | CRBN (0.31) | — | |
| SCHEMBL17646863 | 0.73 | — | — | |
| SCHEMBL9823449 | 0.73 | — | — | |
| SCHEMBL17646510 | 0.73 | — | — | |
| SCHEMBL22118421 | 0.71 | — | — | |
| SCHEMBL23836467 | 0.71 | HSD11B1 (0.32) | — |
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 1 patent. 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 |