⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14079990 | 0.73 | — | — | |
| SCHEMBL13902822 | 0.73 | — | — | |
| SCHEMBL18709590 | 0.71 | — | — | |
| SCHEMBL24091419 | 0.70 | HTT (0.31) | — | |
| SCHEMBL24091471 | 0.70 | HTT (0.31) | — | |
| SCHEMBL25608881 | 0.67 | — | — | |
| SCHEMBL24487720 | 0.67 | — | — | |
| SCHEMBL2992392 | 0.65 | — | — | |
| SCHEMBL2992394 | 0.65 | — | — | |
| SCHEMBL1396534 | 0.65 | — | — |
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-2023099612-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-06-08 | — | — | WO | disclosed |