⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12165264 | 0.86 | TSHR (0.35) | — | |
| SCHEMBL14535949 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL13589733 | 0.79 | APEX1 (0.41) | — | |
| SCHEMBL14535964 | 0.78 | — | — | |
| SCHEMBL13890713 | 0.75 | ERN1 (0.32) | — | |
| SCHEMBL12130275 | 0.75 | — | — | |
| SCHEMBL12458311 | 0.70 | ALOX15 (0.48) | — | |
| SCHEMBL12129699 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL24987993 | 0.68 | GAA (0.43) | — | |
| SCHEMBL14535959 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1787992-A1 | Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2007-05-23 | — | — | EP | disclosed |