⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14561026 | 0.89 | — | — | |
| SCHEMBL14561006 | 0.84 | PRKD3 (0.64) | — | |
| SCHEMBL14561282 | 0.78 | PRKD3 (0.63) | — | |
| SCHEMBL14561194 | 0.77 | — | — | |
| SCHEMBL14561275 | 0.76 | — | — | |
| SCHEMBL14572618 | 0.75 | — | — | |
| SCHEMBL14561270 | 0.75 | — | — | |
| SCHEMBL14561231 | 0.75 | — | — | |
| SCHEMBL14561249 | 0.74 | — | — | |
| SCHEMBL14561248 | 0.74 | — | — |
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-7196095-B2 | (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds | MERCK & CO., INC. (US) | 2007-03-27 | — | — | US | disclosed |
| US-7196095-B2 | (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds | MERCK & CO., INC. (US) | 2007-03-27 | — | — | US | disclosed |