⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25641580 | 0.74 | HSD11B1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL20241320 | 0.72 | HSD11B1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL30592814 | 0.72 | HSD11B1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL21403890 | 0.72 | HSD11B1 (0.30) | — | |
| SCHEMBL14603907 | 0.72 | — | — | |
| SCHEMBL14744015 | 0.70 | — | — | |
| SCHEMBL18987847 | 0.65 | — | — | |
| SCHEMBL18987850 | 0.65 | — | — | |
| SCHEMBL1543318 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL29243532 | 0.64 | — | — |
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-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |