⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17518687 | 1.00 | — | — | |
| SCHEMBL15756008 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1368862 | 0.97 | DPP4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL1368859 | 0.97 | DPP4 (0.35) | — | |
| SCHEMBL20919216 | 0.72 | — | — | |
| SCHEMBL12251661 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL12868512 | 0.69 | — | — | |
| SCHEMBL19200939 | 0.69 | — | — | |
| SCHEMBL17073925 | 0.69 | — | — | |
| SCHEMBL15247260 | 0.69 | — | — |
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-20140155376-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| EP-1861377-B1 | BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS | PFIZER (US) | 2010-12-29 | — | — | EP | disclosed |