⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL736375 | 0.75 | — | — | |
| SCHEMBL12681055 | 0.74 | LMNA (0.34) | — | |
| SCHEMBL21101299 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL29348832 | 0.73 | — | — | |
| SCHEMBL29626819 | 0.73 | TACR1 (0.31) | — | |
| SCHEMBL14650880 | 0.71 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL31668205 | 0.71 | TACR1 (0.30) | — | |
| SCHEMBL15241373 | 0.70 | — | — | |
| SCHEMBL29348864 | 0.70 | — | — | |
| SCHEMBL21136845 | 0.69 | LMNA (0.31) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170283434-A1 | NK1 ANTAGONISTS | OPKO HEALTH INC (US) | 2017-10-05 | — | — | US | disclosed |
| US-9688693-B2 | NK1 antagonists | OPKO HEALTH, INC. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20140336158-A1 | NK1 ANTAGONISTS | TERSERA THERAPEUTICS LLC | 2014-11-13 | — | — | US | disclosed |
| EP-2763977-A1 | ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013050454-A1 | ETHYNYL DERIVATIVES AS MGLUR5 ALLOSTERIC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | disclosed |
| EP-2558457-A1 | ARYLETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |
| EP-1463716-B1 | PYRROLIDINE AND PIPERIDINE DERIVATES AS NK1 ANTAGONISTS | SCHERING CORP (US) | 2008-02-13 | — | — | EP | disclosed |