⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26032293 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL25975831 | 0.83 | AVPR1A (0.31) | — | |
| SCHEMBL26032155 | 0.75 | AKR1C3 (0.33) | — | |
| SCHEMBL21622307 | 0.74 | JAK2 (0.34) | — | |
| SCHEMBL25975832 | 0.71 | PDCD1 (0.42) | — | |
| SCHEMBL22993030 | 0.71 | KDM4E (0.35) | — | |
| SCHEMBL22993424 | 0.70 | PDK2 (0.33) | — | |
| SCHEMBL22993427 | 0.68 | AVPR2 (0.31) | — | |
| SCHEMBL22993440 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL25975910 | 0.61 | — | — |
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-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 |