⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18427277 | 0.80 | — | — | |
| SCHEMBL25159992 | 0.79 | — | — | |
| SCHEMBL18819476 | 0.78 | — | — | |
| SCHEMBL20621632 | 0.77 | — | — | |
| SCHEMBL24088565 | 0.76 | — | — | |
| SCHEMBL19832048 | 0.76 | — | — | |
| SCHEMBL20681756 | 0.75 | — | — | |
| SCHEMBL20216974 | 0.74 | — | — | |
| SCHEMBL27450157 | 0.71 | — | — | |
| SCHEMBL20756638 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220055998-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-02-24 | — | — | US | disclosed |
| US-20220009946-A1 | FUSED HETEROCYCLIC BENZODIAZEPINE DERIVATIVES AND USES THEREOF | INTOCELL, INC. (KR) | 2022-01-13 | — | — | US | disclosed |
| US-20210253592-A1 | SELECTIVE ESTROGEN RECEPTOR DEGRADERS AND USES THEREOF | INVENTISBIO LLC (US) | 2021-08-19 | — | — | US | disclosed |
| US-10550121-B2 | Inhibitors of cyclin-dependent kinases | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2020-02-04 | — | — | US | disclosed |