⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL100646 | 0.82 | GRM5 (0.35) | — | |
| SCHEMBL101131 | 0.82 | GRM5 (0.38) | — | |
| SCHEMBL136095 | 0.82 | GRM5 (0.36) | — | |
| SCHEMBL140430 | 0.78 | GRM5 (0.35) | — | |
| SCHEMBL137892 | 0.76 | GRM5 (0.33) | — | |
| SCHEMBL10226605 | 0.76 | PGR (0.33) | — | |
| SCHEMBL100641 | 0.74 | ATM (0.30) | — | |
| SCHEMBL101315 | 0.74 | GRM5 (0.34) | — | |
| SCHEMBL100619 | 0.73 | GRM5 (0.39) | — | |
| SCHEMBL141008 | 0.73 | GRM5 (0.35) | — |
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 9 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 | claimed |
| EP-2590985-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2013-05-15 | — | — | EP | claimed |
| US-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD. (IT) | 2012-03-08 | — | — | US | claimed |
| WO-2012004400-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2012-01-12 | — | — | WO | claimed |
| US-8580962-B2 | Spiroheterocyclic compounds as mGlu5 antagonists | RECORDATI IRELAND LTD. (IT) | 2013-11-12 | — | — | US | disclosed |
| US-8580962-B2 | Spiroheterocyclic compounds as mGlu5 antagonists | RECORDATI IRELAND LTD. (IT) | 2013-11-12 | — | — | US | disclosed |
| 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 |
| US-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD. (IT) | 2012-03-08 | — | — | US | disclosed |