⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25608923 | 0.73 | — | — | |
| SCHEMBL20090755 | 0.71 | — | — | |
| SCHEMBL2058014 | 0.69 | USP2 (0.55) | — | |
| SCHEMBL112201 | 0.67 | — | — | |
| SCHEMBL12321560 | 0.67 | — | — | |
| SCHEMBL2567886 | 0.65 | — | — | |
| SCHEMBL8914347 | 0.65 | — | — | |
| SCHEMBL8582243 | 0.65 | — | — | |
| SCHEMBL149474 | 0.64 | KMT2A (0.33) | — | |
| SCHEMBL28219991 | 0.64 | POLB (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018213365-A1 | COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-11-22 | — | — | WO | disclosed |
| EP-3236959-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | Dana Farber Cancer Institute, Inc. (US) | 2017-11-01 | — | — | EP | disclosed |
| WO-2016105528-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-06-30 | — | — | WO | disclosed |