⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1803019 | 1.00 | — | — | |
| SCHEMBL29418382 | 0.79 | — | — | |
| SCHEMBL136782 | 0.79 | — | — | |
| SCHEMBL16860535 | 0.75 | — | — | |
| SCHEMBL31145055 | 0.75 | — | — | |
| SCHEMBL952595 | 0.75 | — | — | |
| SCHEMBL31301252 | 0.72 | GSK3B (0.59) | — | |
| Methane SCHEMBL27881196 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7614092 | 0.72 | — | — | |
| SCHEMBL17266359 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116836153-B | CDK9-Cyclin T1 protein interaction inhibitor and application thereof | 厦门大学 | 2026-05-19 | — | — | CN | disclosed |
| CN-116836153-A | CDK9-Cyclin T1 protein interaction inhibitor and application thereof | 厦门大学 | 2023-10-03 | — | — | CN | disclosed |