⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25429755 | 1.00 | — | — | |
| SCHEMBL25429851 | 1.00 | — | — | |
| SCHEMBL25438231 | 0.78 | — | — | |
| SCHEMBL25433040 | 0.77 | — | — | |
| SCHEMBL25433035 | 0.77 | — | — | |
| SCHEMBL23063285 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL8012791 | 0.60 | HTR2A (0.44) | — | |
| SCHEMBL8013724 | 0.60 | HTR2A (0.44) | — | |
| SCHEMBL7253257 | 0.59 | HTR2C (0.47) | — | |
| SCHEMBL7253262 | 0.59 | HTR2C (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4476204-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | Theras, Inc. (US) | 2024-12-18 | — | — | EP | disclosed |
| WO-2023154282-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | THERAS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| WO-2023154282-A1 | COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS | THERAS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |