⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20754413 | 1.00 | — | — | |
| SCHEMBL4642431 | 1.00 | — | — | |
| SCHEMBL2020040 | 0.86 | — | — | |
| SCHEMBL23260717 | 0.75 | — | — | |
| SCHEMBL17613532 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL24248038 | 0.75 | — | — | |
| SCHEMBL13171273 | 0.75 | — | — | |
| SCHEMBL17937006 | 0.73 | — | — | |
| SCHEMBL19986440 | 0.72 | TDP1 (0.50) | — | |
| SCHEMBL20210214 | 0.72 | TDP1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230114207-A1 | THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-04-13 | — | — | US | disclosed |
| WO-2022140390-A1 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| US-10870651-B2 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-12-22 | — | — | US | disclosed |
| US-20190055248-A1 | INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) | DANA-FARBER CANCER INSTITUTE, INC. | 2019-02-21 | — | — | US | disclosed |
| US-20100130469-A1 | 2, 6-NAPHTHRIDINE DERIVATIVES | VAN EIS MAURICE | 2010-05-27 | — | — | US | disclosed |