⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2377177 | 0.98 | — | — | |
| Methylamine SCHEMBL7555450 | 0.75 | FUCA1 (0.31) | — | |
| SCHEMBL12245492 | 0.75 | FUCA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL2377228 | 0.73 | FUCA1 (0.30) | — | |
| SCHEMBL17375989 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL763905 | 0.71 | TRPA1 (0.32) | — | |
| SCHEMBL22111455 | 0.67 | — | — | |
| SCHEMBL23085435 | 0.67 | FUCA1 (0.32) | — | |
| SCHEMBL3021931 | 0.66 | — | — | |
| SCHEMBL24690276 | 0.65 | THRB (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8012974-B2 | Pyrrolopyrazinyl urea kinase inhibitors | ROCHE PALO ALTO LLC (US) | 2011-09-06 | — | — | US | disclosed |
| US-8012974-B2 | Pyrrolopyrazinyl urea kinase inhibitors | ROCHE PALO ALTO LLC (US) | 2011-09-06 | — | — | US | disclosed |
| WO-2010063634-A1 | PYRROLOPYRAZINYL UREA KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-10 | — | — | WO | disclosed |
| US-20100144745-A1 | Pyrrolopyrazinyl Urea Kinase Inhibitors | ROCHE PALO ALTO LLC | 2010-06-10 | — | — | US | disclosed |
| US-20100144745-A1 | Pyrrolopyrazinyl Urea Kinase Inhibitors | ROCHE PALO ALTO LLC | 2010-06-10 | — | — | US | disclosed |