⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8648201 | 0.80 | — | — | |
| SCHEMBL27789149 | 0.78 | PAM (0.44) | — | |
| SCHEMBL28340166 | 0.78 | MGAM (0.52) | — | |
| SCHEMBL28005768 | 0.78 | ADRA2A (0.44) | — | |
| SCHEMBL9839807 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL15214787 | 0.76 | — | — | |
| SCHEMBL9333897 | 0.76 | — | — | |
| SCHEMBL30902256 | 0.76 | TRPA1 (0.52) | — | |
| SCHEMBL15745840 | 0.76 | MGAM (0.57) | — | |
| SCHEMBL946642 | 0.76 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10212283-A | — | — | None | — | — | JP | disclosed |
| CN-108430994-A | Compound, composition and method for adjusting CFTR | 蛋白质平衡治疗股份有限公司 | 2018-08-21 | — | — | CN | disclosed |
| CN-104860869-B | Compound with MEK kinase inhibition functions and preparation method and application | 北京大学 | 2017-11-03 | — | — | CN | disclosed |
| US-9346775-B2 | Method for manufactruring β-(meth)acryloyloxy-γ-butyrolactones | JNC CORPORATION (JP) | 2016-05-24 | — | — | US | disclosed |
| US-20150126753-A1 | METHOD FOR MANUFACTRURING BETA-(METH)ACRYLOYLOXY-GAMMA-BUTYROLACTONES | JNC CORPORATION (JP) | 2015-05-07 | — | — | US | disclosed |
| JP-2000080090-A | PRODUCTION OF CYCLIC ESTER COMPOUND | NIPPON ZEON CO LTD | 2000-03-21 | — | — | JP | disclosed |
| JP-H10212283-A | PRODUCTION OF BETA-HYDROXY-GAMMA-BUTYROLACTONES AND BETA-(METH)ACRYOYLOXY-GAMMA-BUTYROLACTONES | MITSUBISHI RAYON CO LTD | 1998-08-11 | — | — | JP | disclosed |
| US-4563310-A | HERBICIDES | ZOECON CORPORATION (US) | 1986-01-07 | — | — | US | disclosed |
| EP-0065374-A1 | Substituted phosphinates and phosphinothioates and their use for the control of weeds | ZOECON CORPORATION (US) | 1982-11-24 | — | — | EP | disclosed |