⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22813057 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL6243755 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL143134 | 0.75 | TRIM24 (0.36) | — | |
| SCHEMBL19218138 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL136849 | 0.73 | CYP11B1 (0.31) | — | |
| SCHEMBL15605637 | 0.73 | — | — | |
| SCHEMBL1169757 | 0.72 | — | — | |
| SCHEMBL3309020 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL6595416 | 0.71 | — | — | |
| SCHEMBL658204 | 0.70 | TRIM24 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590985-B1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2014-05-14 | — | — | EP | disclosed |
| WO-2013185202-A1 | APOPTOSIS INDUCERS | BETA PHARMA CANADA INC (CA) | 2013-12-19 | — | — | WO | disclosed |
| WO-2013185202-A1 | APOPTOSIS INDUCERS | BETA PHARMA CANADA INC (CA) | 2013-12-19 | — | — | WO | 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 |