⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13398157 | 0.81 | GPR119 (0.30) | — | |
| SCHEMBL8242545 | 0.69 | GRM2 (0.41) | — | |
| SCHEMBL2740620 | 0.66 | CHRNB4 (0.31) | — | |
| SCHEMBL12901424 | 0.66 | CYP2C9 (0.30) | — | |
| SCHEMBL2578044 | 0.66 | HDAC3 (0.30) | — | |
| SCHEMBL2310439 | 0.65 | — | — | |
| SCHEMBL4620230 | 0.64 | PARP1 (0.31) | — | |
| SCHEMBL10210707 | 0.63 | HDAC3 (0.36) | — | |
| SCHEMBL19525972 | 0.56 | — | — | |
| SCHEMBL34471682 | 0.56 | — | — |
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-1888542-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2008-02-20 | — | — | EP | claimed |
| WO-2006136245-A1 | SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS | Grünenthal GmbH (DE) | 2006-12-28 | — | — | WO | claimed |