⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10305321 | 0.76 | HSD17B10 (0.50) | — | |
| SCHEMBL21262586 | 0.73 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL14394902 | 0.72 | CYP3A4 (0.48) | — | |
| SCHEMBL13890653 | 0.71 | — | — | |
| SCHEMBL98117 | 0.69 | ALDH1A1 (0.53) | — | |
| SCHEMBL1004002 | 0.69 | ACHE (0.40) | — | |
| SCHEMBL28514732 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL13212501 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL1751110 | 0.67 | NMT1 (0.50) | — | |
| SCHEMBL14535944 | 0.67 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1787992-B1 | Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group | TAISHO PHARMACEUTICAL CO LTD (JP) | 2009-04-29 | — | — | EP | disclosed |
| EP-1787992-A1 | Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2007-05-23 | — | — | EP | disclosed |