⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8164329 | 0.74 | — | — | |
| SCHEMBL9631430 | 0.73 | — | — | |
| SCHEMBL276628 | 0.71 | — | — | |
| SCHEMBL7077719 | 0.69 | NR1I2 (0.32) | — | |
| SCHEMBL7753508 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL11650998 | 0.69 | — | — | |
| SCHEMBL14814313 | 0.69 | — | — | |
| SCHEMBL13115138 | 0.69 | — | — | |
| SCHEMBL10949142 | 0.69 | — | — | |
| SCHEMBL6917604 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020191047-A1 | USE OF GABAA RECEPTOR MODULATORS FOR TREATMENT OF PAIN | NEUROCYCLE THERAPEUTICS, INC. (US) | 2020-09-24 | — | — | WO | disclosed |
| US-8546587-B2 | Method for producing acrylate derivative, acrylate derivative, and intermediate thereof | KURARAY CO., LTD. (JP) | 2013-10-01 | — | — | US | disclosed |
| US-20130005990-A1 | METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF | KURARAY CO., LTD. (JP) | 2013-01-03 | — | — | US | disclosed |
| US-8314258-B2 | Method for producing acrylate derivative, acrylate derivative, and intermediate thereof | KURARAY CO., LTD. (JP) | 2012-11-20 | — | — | US | disclosed |
| US-20110009643-A1 | METHOD FOR PRODUCING ACRYLATE DERIVATIVE, ACRYLATE DERIVATIVE, AND INTERMEDIATE THEREOF | KURARAY CO., LTD. (JP) | 2011-01-13 | — | — | US | disclosed |
| EP-0372870-A2 | Novel heterocyclic pesticidal compounds | ROUSSEL-UCLAF (FR) | 1990-06-13 | — | — | EP | disclosed |