⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18888411 | 1.00 | — | — | |
| SCHEMBL19696781 | 0.95 | — | — | |
| SCHEMBL19325322 | 0.93 | — | — | |
| SCHEMBL26313986 | 0.91 | — | — | |
| SCHEMBL18392737 | 0.91 | — | — | |
| SCHEMBL18568513 | 0.91 | — | — | |
| SCHEMBL20821157 | 0.89 | — | — | |
| SCHEMBL19456382 | 0.89 | — | — | |
| SCHEMBL19114603 | 0.89 | — | — | |
| SCHEMBL25038788 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190161429-A1 | Aromatic Esters and Polyesters, Production Without Esterification Catalyst, and Use | EXXONMOBIL CHEMICAL PATENTS INC. | 2019-05-30 | — | — | US | disclosed |