⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15866470 | 0.78 | — | — | |
| SCHEMBL256062 | 0.72 | — | — | |
| SCHEMBL16645716 | 0.69 | TTR (0.43) | — | |
| SCHEMBL11645600 | 0.67 | — | — | |
| SCHEMBL12555390 | 0.67 | — | — | |
| SCHEMBL12377395 | 0.67 | — | — | |
| SCHEMBL16477923 | 0.63 | — | — | |
| SCHEMBL24539978 | 0.61 | — | — | |
| SCHEMBL24539478 | 0.61 | — | — | |
| Dioxane SCHEMBL11075431 | 0.60 | — | — |
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-8883789-B2 | Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-11 | — | — | US | disclosed |
| US-20130158042-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-20 | — | — | US | disclosed |