⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13212501 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL13890680 | 0.71 | — | — | |
| SCHEMBL8272774 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL12621494 | 0.67 | — | — | |
| SCHEMBL14403319 | 0.66 | TP53 (0.52) | — | |
| SCHEMBL19522683 | 0.66 | ACHE (0.39) | — | |
| SCHEMBL1551822 | 0.65 | RAPGEF4 (0.59) | — | |
| SCHEMBL28951 | 0.65 | RAPGEF4 (0.59) | — | |
| SCHEMBL18950483 | 0.65 | ALDH1A1 (0.53) | — | |
| SCHEMBL14276963 | 0.63 | RAPGEF4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170044094-A1 | PROCESS FOR PREPARING BIPHENYLAMINES FROM ANILIDES BY RUTHENIUM CATALYSIS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-02-16 | — | — | US | disclosed |
| EP-1787992-B1 | Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group | TAISHO PHARMACEUTICAL CO LTD (JP) | 2009-04-29 | — | — | EP | disclosed |