⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7993648 | 0.74 | — | — | |
| SCHEMBL786337 | 0.73 | HCAR2 (0.50) | — | |
| SCHEMBL804646 | 0.73 | — | — | |
| SCHEMBL19350655 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL31648852 | 0.71 | HCAR2 (0.39) | — | |
| SCHEMBL21389692 | 0.71 | — | — | |
| SCHEMBL10140988 | 0.71 | — | — | |
| SCHEMBL237217 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31389982 | 0.71 | HCAR2 (0.48) | — | |
| SCHEMBL19209810 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023227125-A1 | NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF | 杭州德睿智药科技有限公司 | 2023-11-30 | — | — | WO | disclosed |
| WO-2023230190-A1 | PYRIMIDINE BASED MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. (US) | 2023-11-30 | — | — | WO | disclosed |
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| CN-106103445-A | Pyrazolo [1,5 A] pyrimidine 5,7 diamine compound and their therapeutic use as CDK inhibitor | 癌症研究技术有限公司 | 2016-11-09 | — | — | CN | disclosed |