⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL331412 | 0.97 | — | — | |
| SCHEMBL331858 | 0.97 | — | — | |
| SCHEMBL113966 | 0.97 | — | — | |
| SCHEMBL27798361 | 0.93 | — | — | |
| SCHEMBL27798381 | 0.93 | — | — | |
| Water SCHEMBL9319766 | 0.93 | — | — | |
| SCHEMBL27974559 | 0.93 | — | — | |
| Acetic Acid SCHEMBL3254740 | 0.83 | FFAR3 (0.37) | — | |
| Ether SCHEMBL10341682 | 0.83 | ALDH1A1 (0.38) | — | |
| Acetic Acid SCHEMBL1468433 | 0.83 | FFAR3 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102498087-B | Process for producing diphenyl carbonate | SHELL INT RESEARCH | 2015-05-27 | — | — | CN | disclosed |