⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24239378 | 0.78 | — | — | |
| SCHEMBL11942667 | 0.78 | — | — | |
| SCHEMBL14175036 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5766466 | 0.76 | — | — | |
| SCHEMBL4471926 | 0.76 | — | — | |
| SCHEMBL24648750 | 0.74 | — | — | |
| SCHEMBL24477200 | 0.74 | — | — | |
| SCHEMBL9887404 | 0.74 | — | — | |
| SCHEMBL7878259 | 0.72 | — | — | |
| SCHEMBL17887836 | 0.70 | HPGD (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230192700-A1 | PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-22 | — | — | US | disclosed |
| EP-4114837-A1 | PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 | Bayer Aktiengesellschaft (DE) | 2023-01-11 | — | — | EP | disclosed |
| WO-2021176049-A1 | PYRAZOLOPYRAZINES ACTING ON CANCERS VIA INHIBITION OF CDK12 | BAYER AKTIENGESELLSCHAFT (DE) | 2021-09-10 | — | — | WO | disclosed |
| US-20170291890-A1 | HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF | Epizyme, Inc. | 2017-10-12 | — | — | US | disclosed |