⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139924 | 1.00 | — | — | |
| SCHEMBL20324377 | 0.72 | — | — | |
| SCHEMBL17118654 | 0.72 | — | — | |
| SCHEMBL8492162 | 0.67 | — | — | |
| SCHEMBL8160256 | 0.67 | — | — | |
| SCHEMBL3784264 | 0.67 | — | — | |
| SCHEMBL101101 | 0.67 | — | — | |
| SCHEMBL8160246 | 0.67 | — | — | |
| SCHEMBL3286850 | 0.65 | — | — | |
| SCHEMBL3286849 | 0.65 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107406461-B | Heterocyclic alkyne derivatives and their use as mGluR5 receptor modulators | 雷科尔达蒂爱尔兰有限公司 | 2020-03-13 | — | — | CN | disclosed |
| EP-3240792-B1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | RECORDATI IRELAND LTD (IE) | 2019-01-23 | — | — | EP | disclosed |
| US-9889121-B2 | Heterocyclylalkyne derivatives and their use as modulators of mGluR5 receptors | RECORDATI IRELAND LTD. (IE) | 2018-02-13 | — | — | US | disclosed |
| EP-3240792-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | Recordati Ireland Limited (IE) | 2017-11-08 | — | — | EP | disclosed |
| US-20170182011-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | RECORDATI IRELAND LTD (IE) | 2017-06-29 | — | — | US | disclosed |
| US-9593127-B2 | Heterocyclylalkyne derivatives and their use as modulators of mGluR5 receptors | RECORDATI IRELAND LTD. (IE) | 2017-03-14 | — | — | US | disclosed |
| WO-2016107865-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF MGLUR5 RECEPTORS | RECORDATI IRELAND LIMITED (IE) | 2016-07-07 | — | — | WO | disclosed |
| US-20160185798-A1 | HETEROCYCLYLALKYNE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS | RECORDATI IRELAND LTD. (IE) | 2016-06-30 | — | — | US | disclosed |
| EP-2590985-B1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD (IE) | 2014-05-14 | — | — | EP | disclosed |
| US-8580962-B2 | Spiroheterocyclic compounds as mGlu5 antagonists | RECORDATI IRELAND LTD. (IT) | 2013-11-12 | — | — | US | disclosed |
| EP-2590985-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | Recordati Ireland Limited (IE) | 2013-05-15 | — | — | EP | disclosed |
| US-20120059015-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LTD. (IT) | 2012-03-08 | — | — | US | disclosed |
| WO-2012004400-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2012-01-12 | — | — | WO | disclosed |