⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26906309 | 0.78 | MEN1 (0.37) | — | |
| SCHEMBL27216853 | 0.78 | MEN1 (0.37) | — | |
| SCHEMBL24535773 | 0.77 | — | — | |
| SCHEMBL8896333 | 0.58 | PYGM (0.33) | — | |
| SCHEMBL24535550 | 0.58 | OPRK1 (0.33) | — | |
| SCHEMBL24535717 | 0.57 | — | — | |
| SCHEMBL17151246 | 0.57 | — | — | |
| SCHEMBL20029627 | 0.57 | PGR (0.33) | — | |
| SCHEMBL17137567 | 0.57 | — | — | |
| SCHEMBL225395 | 0.56 | KMT2A (0.31) | — |
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-2022132686-A1 | FUSED BICYCLIC PYRAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPESVIRUSES | MERCK SHARP & DOHME CORP. (US) | 2022-06-23 | — | — | WO | disclosed |