⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4396508 | 0.82 | PIK3CD (0.52) | — | |
| SCHEMBL13811581 | 0.79 | PIK3CD (0.50) | — | |
| SCHEMBL1918653 | 0.79 | KMT2A (0.65) | — | |
| SCHEMBL13811574 | 0.78 | PIK3CD (0.48) | — | |
| SCHEMBL2128234 | 0.76 | PIK3CD (0.47) | — | |
| SCHEMBL680486 | 0.76 | KMT2A (0.57) | — | |
| SCHEMBL1306684 | 0.75 | PIK3CD (0.46) | — | |
| Dimethylamine SCHEMBL121939 | 0.75 | KMT2A (0.56) | — | |
| Imuracetam SCHEMBL1660951 | 0.75 | KMT2A (0.56) | — | |
| SCHEMBL1306680 | 0.75 | CHRM2 (0.46) | — |
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-20230212164-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-07-06 | — | — | US | disclosed |
| WO-2021129824-A1 | NEW-TYPE K-RAS G12C INHIBITOR | 微境生物医药科技(上海)有限公司 | 2021-07-01 | — | — | WO | disclosed |