⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL136006 | 0.92 | GPR119 (0.32) | — | |
| SCHEMBL319557 | 0.83 | GPR119 (0.43) | — | |
| SCHEMBL136091 | 0.81 | GRM5 (0.39) | — | |
| SCHEMBL136192 | 0.80 | GRM5 (0.40) | — | |
| SCHEMBL135469 | 0.76 | FFAR1 (0.36) | — | |
| SCHEMBL136537 | 0.75 | GRM5 (0.41) | — | |
| SCHEMBL15673657 | 0.74 | USP2 (0.38) | — | |
| SCHEMBL15673214 | 0.69 | SCD5 (0.44) | — | |
| SCHEMBL136334 | 0.69 | GRM5 (0.37) | — | |
| SCHEMBL136832 | 0.68 | — | — |
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-8580962-B2 | Spiroheterocyclic compounds as mGlu5 antagonists | RECORDATI IRELAND LTD. (IT) | 2013-11-12 | — | — | US | disclosed |
| US-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD. (IT) | 2012-03-08 | — | — | US | disclosed |