⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25097037 | 0.89 | — | — | |
| SCHEMBL16144782 | 0.84 | — | — | |
| SCHEMBL90069 | 0.78 | — | — | |
| SCHEMBL24851625 | 0.77 | — | — | |
| SCHEMBL21763868 | 0.76 | — | — | |
| SCHEMBL14388348 | 0.76 | NEK2 (0.35) | — | |
| SCHEMBL12958765 | 0.74 | SIGMAR1 (0.33) | — | |
| SCHEMBL12926362 | 0.74 | SIGMAR1 (0.36) | — | |
| SCHEMBL9977998 | 0.73 | SLC6A2 (0.33) | — | |
| SCHEMBL4185417 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230227470-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | VANDERBILT UNIVERSITY | 2023-07-20 | — | — | US | disclosed |
| WO-2023034811-A1 | COMPOUNDS AND METHODS FOR MODULATING SPLICING | REMIX THERAPEUTICS INC. (US) | 2023-03-09 | — | — | WO | disclosed |