⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1016 | 0.93 | — | — | |
| Water SCHEMBL31291049 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28295073 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL8976987 | 0.76 | — | — | |
| SCHEMBL28031875 | 0.71 | — | — | |
| Formic Acid SCHEMBL29763139 | 0.68 | — | — | |
| Methane SCHEMBL16994143 | 0.68 | — | — | |
| SCHEMBL9706972 | 0.67 | — | — | |
| SCHEMBL12304947 | 0.67 | — | — | |
| SCHEMBL331376 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-12240869-B2 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | SYROS PHARMACEUTICALS, INC. (US) | 2025-03-04 | — | — | US | disclosed |
| EP-3873462-A1 | METHODS OF TREATING CANCER IN BIOMARKER-IDENTIFIED PATIENTS WITH NON-COVALENT INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Syros Pharmaceuticals, Inc. (US) | 2021-09-08 | — | — | EP | disclosed |
| CN-106029651-A | Urea derivatives as kinase inhibitors | 瑞斯比维特有限公司 | 2016-10-12 | — | — | CN | disclosed |