⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4281835 | 1.00 | — | — | |
| SCHEMBL4284074 | 0.92 | SPHK2 (0.37) | — | |
| SCHEMBL4284078 | 0.92 | SPHK2 (0.37) | — | |
| SCHEMBL4285842 | 0.90 | SPHK2 (0.40) | — | |
| SCHEMBL4283559 | 0.90 | SPHK2 (0.40) | — | |
| SCHEMBL4283555 | 0.90 | SPHK2 (0.40) | — | |
| SCHEMBL4285836 | 0.90 | SPHK2 (0.40) | — | |
| SCHEMBL4284691 | 0.90 | SPHK2 (0.40) | — | |
| SCHEMBL4284696 | 0.90 | SPHK2 (0.40) | — | |
| SCHEMBL18134583 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765809-B2 | Ester derivative and use thereof | AJINOMOTO CO., INC. (JP) | 2014-07-01 | — | — | US | disclosed |
| US-20130053441-A1 | NOVEL ESTER DERIVATIVE AND USE THEREOF | AJINOMOTO CO., INC. (JP) | 2013-02-28 | — | — | US | disclosed |
| US-8212068-B2 | Ester derivative and use thereof | AJINOMOTO CO., INC. (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20090170942-A1 | ESTER DERIVATIVE AND USE THEREOF | AJINOMOTO CO. INC (JP) | 2009-07-02 | — | — | US | disclosed |