⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9918265 | 0.78 | — | — | |
| SCHEMBL9918266 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL9918185 | 0.74 | CYP1A2 (0.30) | — | |
| SCHEMBL9918261 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL21676346 | 0.73 | — | — | |
| SCHEMBL9918264 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL17276922 | 0.71 | — | — | |
| SCHEMBL17276921 | 0.71 | — | — | |
| SCHEMBL15730436 | 0.70 | — | — | |
| SCHEMBL21575362 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024147972-A2 | DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF | THOMAS JEFFERSON UNIVERSITY (US) | 2024-07-11 | — | — | WO | disclosed |
| US-9493441-B2 | Acyclic cyanoethylpyrazoles as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-11-15 | — | — | US | disclosed |
| US-9328099-B2 | Cyanomethylpyrazole carboxamides as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-05-03 | — | — | US | disclosed |
| US-8962608-B2 | Cycloalkylnitrile pyrazole carboxamides as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-02-24 | — | — | US | disclosed |
| US-20140243309-A1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-28 | — | — | US | disclosed |
| US-20140228358-A1 | ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| US-20140228348-A1 | CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |