⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15003547 | 0.75 | — | — | |
| SCHEMBL11203642 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL30349823 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL18434778 | 0.71 | — | — | |
| SCHEMBL30349850 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL19308518 | 0.71 | — | — | |
| SCHEMBL20977414 | 0.71 | — | — | |
| SCHEMBL8312472 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL24488665 | 0.68 | — | — | |
| SCHEMBL20977296 | 0.68 | LMNA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867277-A | Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof | 韩国科学技术研究院 | 2023-03-28 | — | — | CN | disclosed |
| EP-2114948-B1 | INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE | ABBVIE INC (US) | 2014-06-25 | — | — | EP | disclosed |
| EP-2336122-B1 | 1-PYRIMIDINYL- OR 1-PYRIDINYL-2-AMINO BENZIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF PROTEIN KINASES FOR THE TREATMENT OF CANCER | VERTEX PHARMA (US) | 2014-05-14 | — | — | EP | disclosed |